[(1S)-2-oxidanylidenecyclohexyl] 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate Openeye Name: [(1S)-2-oxocyclohexyl] 2,5-dimethyl-1-(p-tolyl)pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolecarboxylic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-1-(p-tolyl)pyrrole-3-carboxylic acid [(1S)-2-ketocyclohexyl] ester Formula: C20H23NO3 MolecularWeight: 325.40152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)OC3CCCCC3=O)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)O[C@H]3CCCCC3=O)C

InChI

InChI=1S/C20H23NO3/c1-13-8-10-16(11-9-13)21-14(2)12-17(15(21)3)20(23)24-19-7-5-4-6-18(19)22/h8-12,19H,4-7H2,1-3H3/t19-/m0/s1