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

Systemtic Name: [(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(p-tolyl)ethyl] 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-cyclopropyl-2,5-dimethyl-3-pyrrolecarboxylic acid [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylic acid [(1S)-2-keto-1-methyl-2-(p-tolyl)ethyl] ester Formula: C20H23NO3 MolecularWeight: 325.40152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=C(N(C(=C2)C)C3CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)C2=C(N(C(=C2)C)C3CC3)C

InChI

InChI=1S/C20H23NO3/c1-12-5-7-16(8-6-12)19(22)15(4)24-20(23)18-11-13(2)21(14(18)3)17-9-10-17/h5-8,11,15,17H,9-10H2,1-4H3/t15-/m0/s1