[(1S)-2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 1H-pyrrole-2-carboxylate

Systemtic Name: [(1S)-2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 1H-pyrrole-2-carboxylate Openeye Name: [(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenyl-ethyl] 1H-pyrrole-2-carboxylate CAS Name: 1H-pyrrole-2-carboxylic acid [(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 1H-pyrrole-2-carboxylate Traditional Name: 1H-pyrrole-2-carboxylic acid [(1S)-2-(2,5-dimethylanilino)-2-keto-1-phenyl-ethyl] ester Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=CN3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)[C@H](C2=CC=CC=C2)OC(=O)C3=CC=CN3

InChI

InChI=1S/C21H20N2O3/c1-14-10-11-15(2)18(13-14)23-20(24)19(16-7-4-3-5-8-16)26-21(25)17-9-6-12-22-17/h3-13,19,22H,1-2H3,(H,23,24)/t19-/m0/s1