[(1R)-2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-pyrrol-1-ylbenzoate

Systemtic Name: [(1R)-2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-pyrrol-1-ylbenzoate Openeye Name: [(1R)-2-(4-methylanilino)-2-oxo-1-phenyl-ethyl] 3-pyrrol-1-ylbenzoate CAS Name: 3-(1-pyrrolyl)benzoic acid [(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 3-pyrrol-1-ylbenzoate Traditional Name: 3-pyrrol-1-ylbenzoic acid [(1R)-2-keto-1-phenyl-2-(p-toluidino)ethyl] ester Formula: C26H22N2O3 MolecularWeight: 410.46448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC(=CC=C3)N4C=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@@H](C2=CC=CC=C2)OC(=O)C3=CC(=CC=C3)N4C=CC=C4

InChI

InChI=1S/C26H22N2O3/c1-19-12-14-22(15-13-19)27-25(29)24(20-8-3-2-4-9-20)31-26(30)21-10-7-11-23(18-21)28-16-5-6-17-28/h2-18,24H,1H3,(H,27,29)/t24-/m1/s1