1H-pyrrol-3-yl 5-cyclohexyl-4-ethanoyl-1-(4-methylphenyl)-2-oxidanylidene-cyclohex-3-ene-1-carboxylate

Systemtic Name: 1H-pyrrol-3-yl 5-cyclohexyl-4-ethanoyl-1-(4-methylphenyl)-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: 1H-pyrrol-3-yl 4-acetyl-5-cyclohexyl-2-oxo-1-(p-tolyl)cyclohex-3-ene-1-carboxylate CAS Name: 4-acetyl-5-cyclohexyl-1-(4-methylphenyl)-2-oxo-1-cyclohex-3-enecarboxylic acid 1H-pyrrol-3-yl ester IUPAC Name: 1H-pyrrol-3-yl 4-acetyl-5-cyclohexyl-1-(4-methylphenyl)-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: 4-acetyl-5-cyclohexyl-2-keto-1-(p-tolyl)cyclohex-3-ene-1-carboxylic acid 1H-pyrrol-3-yl ester Formula: C26H29NO4 MolecularWeight: 419.51276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2(CC(C(=CC2=O)C(=O)C)C3CCCCC3)C(=O)OC4=CNC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2(CC(C(=CC2=O)C(=O)C)C3CCCCC3)C(=O)OC4=CNC=C4

InChI

InChI=1S/C26H29NO4/c1-17-8-10-20(11-9-17)26(25(30)31-21-12-13-27-16-21)15-23(19-6-4-3-5-7-19)22(18(2)28)14-24(26)29/h8-14,16,19,23,27H,3-7,15H2,1-2H3