| CAS Number | 258332-42-2 |
| Catalog Number | AG01EKFA(AGN-PC-0R1PMV) |
| Chemical Name | 2-{[(4-chlorophenyl)methyl]({[(9H-fluoren-9-yl)methoxy]carbonyl})amino}acetic acid |
| IUPAC Name | 2-[(4-chlorophenyl)methyl-(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid |
| InChI | InChI=1S/C24H20ClNO4/c25-17-11-9-16(10-12-17)13-26(14-23(27)28)24(29)30-15-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-12,22H,13-15H2,(H,27,28) |
| InChI Key | IWDQSRGBOLDOST-UHFFFAOYSA-N |
| MDL Number | MFCD31584591 |
| Molecular Formula | C24H20ClNO4 |
| Molecular Weight | 421.8729 |
| SMILES | OC(CN(C(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O)CC1=CC=C(Cl)C=C1)=O |
| Synonyms | 2-{[(4-chlorophenyl)methyl]({[(9H-fluoren-9-yl)methoxy]carbonyl})amino}acetic acid,
AKOS033937647,
ZINC399830111,
Z2527705501,
258332-42-2,
|
| Complexity | 584 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 421.108g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 421.877g/mol |
| Monoisotopic Mass | 421.108g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5 |
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