[(2S)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate

Systemtic Name: [(2S)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate Openeye Name: [(1S)-2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 2,5-dimethyl-1-(p-tolyl)pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolecarboxylic acid [(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-1-(p-tolyl)pyrrole-3-carboxylic acid [(1S)-2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C24H23N3O3 MolecularWeight: 401.45772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)OC(C)C(=O)NC3=CC=CC(=C3)C#N)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)O[C@@H](C)C(=O)NC3=CC=CC(=C3)C#N)C

InChI

InChI=1S/C24H23N3O3/c1-15-8-10-21(11-9-15)27-16(2)12-22(17(27)3)24(29)30-18(4)23(28)26-20-7-5-6-19(13-20)14-25/h5-13,18H,1-4H3,(H,26,28)/t18-/m0/s1