[(2S)-1-oxidanylidene-1-[(4-phenylmethoxyphenyl)amino]propan-2-yl] 3-azanyl-4-chloranyl-benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(4-phenylmethoxyphenyl)amino]propan-2-yl] 3-azanyl-4-chloranyl-benzoate Openeye Name: [(1S)-2-(4-benzyloxyanilino)-1-methyl-2-oxo-ethyl] 3-amino-4-chloro-benzoate CAS Name: 3-amino-4-chlorobenzoic acid [(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] 3-amino-4-chlorobenzoate Traditional Name: 3-amino-4-chloro-benzoic acid [(1S)-2-(4-benzoxyanilino)-2-keto-1-methyl-ethyl] ester Formula: C23H21ClN2O4 MolecularWeight: 424.87684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OCC2=CC=CC=C2)OC(=O)C3=CC(=C(C=C3)Cl)N

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)OCC2=CC=CC=C2)OC(=O)C3=CC(=C(C=C3)Cl)N

InChI

InChI=1S/C23H21ClN2O4/c1-15(30-23(28)17-7-12-20(24)21(25)13-17)22(27)26-18-8-10-19(11-9-18)29-14-16-5-3-2-4-6-16/h2-13,15H,14,25H2,1H3,(H,26,27)/t15-/m0/s1