[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-(acetamidomethyl)benzoate

Systemtic Name: [2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-(acetamidomethyl)benzoate Openeye Name: [2-(3-chloro-4-methyl-anilino)-2-oxo-1-phenyl-ethyl] 4-(acetamidomethyl)benzoate CAS Name: 4-(acetamidomethyl)benzoic acid [2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl] 4-(acetamidomethyl)benzoate Traditional Name: 4-(acetamidomethyl)benzoic acid [2-(3-chloro-4-methyl-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C25H23ClN2O4 MolecularWeight: 450.91412

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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=C(C=C3)CNC(=O)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H23ClN2O4/c1-16-8-13-21(14-22(16)26)28-24(30)23(19-6-4-3-5-7-19)32-25(31)20-11-9-18(10-12-20)15-27-17(2)29/h3-14,23H,15H2,1-2H3,(H,27,29)(H,28,30)