AG001RO2

1601-18-9 | 1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-, methyl ester

AG001RO2

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CAS Number	1601-18-9
Catalog Number	AG001RO2(AGN-PC-0Q7TXU)
Chemical Name	1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-, methyl ester
EC Number	216-494-8
IUPAC Name	methyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
InChI	InChI=1S/C20H18ClNO4/c1-12-16(11-19(23)26-3)17-10-15(25-2)8-9-18(17)22(12)20(24)13-4-6-14(21)7-5-13/h4-10H,11H2,1-3H3
InChI Key	OKHORWCUMZIORR-UHFFFAOYSA-N
MDL Number	MFCD01719291
Molecular Formula	C20H18ClNO4
Molecular Weight	371.8142
SMILES	O=C(OC)CC1=C(C)N(C(C2=CC=C(Cl)C=C2)=O)C3=C1C=C(OC)C=C3
Synonyms	1601-18-9, Indomethacin Methyl Ester, Methyl 2-(1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetate, Methyl 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetate, EINECS 216-494-8, BRN 0496619, CHEMBL73572, INDOLE-3-ACETIC ACID, 1-(p-CHLOROBENZOYL)-5-METHOXY-2-METHYL-, METHYL ESTER, 1-(p-Chlorobenzoyl)-5-methoxy-2-methyl-3-indoleacetic acid methyl ester, 1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-, methyl ester, methyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate, 1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic Acid Methyl Ester, Indomethacin, methylated, Indomethacin, methyl ester, Indomethacin derivative, 5, Indomethacine, methyl ester, AC1L25OQ, Indomethacin, methyl deriv., Methyl ester of Indomethacin, SCHEMBL14086813, BDBM22952, CTK4D0330, KS-00000GJV, DTXSID30166800, OKHORWCUMZIORR-UHFFFAOYSA-N, ZINC2039408, MFCD01719291, AJ-33172, AK-62845, AN-49517, DS-15077, LS-82141, CS-0061203, FT-0670346, 601M189, J-009676, L 588983, Methyl N-(p-Chlorobenzoyl)-2-methyl-5-methoxy-3-indolylacetate, Methyl [1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetate #, methyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetate, [1-(4-chlorobenzoyl)-2-methyl-5-methoxy-1h-indole-3-yl]acetic acid methyl ester, 1H-Indole-3-aceticacid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-, methyl ester, 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetic acid methyl ester, methyl 2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethanoate, methyl 2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl-1H-indol-3-yl}acetate, Methyl [1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetate (Indomethacin Methyl Ester), C20H18ClNO4, C20-H18-Cl-N-O4, CID15339, 5-22-05-00240 (Beilstein Handbook Reference), 2-[2-[bis(2,6-dimethylphenyl)methoxy]ethoxy]-N,N-dimethylethanamine,

Complexity	520
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	371.092g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	371.817g/mol
Monoisotopic Mass	371.092g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	57.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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