[(1S)-2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-cyanobenzoate

Systemtic Name: [(1S)-2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-cyanobenzoate Openeye Name: [(1S)-2-(2-methoxy-5-methyl-anilino)-2-oxo-1-phenyl-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [(1S)-2-keto-2-(2-methoxy-5-methyl-anilino)-1-phenyl-ethyl] ester Formula: C24H20N2O4 MolecularWeight: 400.4266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H20N2O4/c1-16-8-13-21(29-2)20(14-16)26-23(27)22(18-6-4-3-5-7-18)30-24(28)19-11-9-17(15-25)10-12-19/h3-14,22H,1-2H3,(H,26,27)/t22-/m0/s1