[(1S)-2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-acetamidobenzoate

Systemtic Name: [(1S)-2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-acetamidobenzoate Openeye Name: [(1S)-2-(3-chloro-4-methyl-anilino)-2-oxo-1-phenyl-ethyl] 3-acetamidobenzoate CAS Name: 3-acetamidobenzoic acid [(1S)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl] 3-acetamidobenzoate Traditional Name: 3-acetamidobenzoic acid [(1S)-2-(3-chloro-4-methyl-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C24H21ClN2O4 MolecularWeight: 436.88754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC(=CC=C3)NC(=O)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)OC(=O)C3=CC(=CC=C3)NC(=O)C)Cl

InChI

InChI=1S/C24H21ClN2O4/c1-15-11-12-20(14-21(15)25)27-23(29)22(17-7-4-3-5-8-17)31-24(30)18-9-6-10-19(13-18)26-16(2)28/h3-14,22H,1-2H3,(H,26,28)(H,27,29)/t22-/m0/s1