[6-methyl-3-oxidanylidene-2-(2,4,6-trimethylphenyl)cyclohexen-1-yl] 4-cyanobenzoate

Systemtic Name: [6-methyl-3-oxidanylidene-2-(2,4,6-trimethylphenyl)cyclohexen-1-yl] 4-cyanobenzoate Openeye Name: [6-methyl-3-oxo-2-(2,4,6-trimethylphenyl)cyclohexen-1-yl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [6-methyl-3-oxo-2-(2,4,6-trimethylphenyl)-1-cyclohexenyl] ester IUPAC Name: [6-methyl-3-oxo-2-(2,4,6-trimethylphenyl)cyclohexen-1-yl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid (3-keto-2-mesityl-6-methyl-cyclohexen-1-yl) ester Formula: C24H23NO3 MolecularWeight: 373.44432

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(=O)C(=C1OC(=O)C2=CC=C(C=C2)C#N)C3=C(C=C(C=C3C)C)C

Isomeric SMILES

CC1CCC(=O)C(=C1OC(=O)C2=CC=C(C=C2)C#N)C3=C(C=C(C=C3C)C)C

InChI

InChI=1S/C24H23NO3/c1-14-11-16(3)21(17(4)12-14)22-20(26)10-5-15(2)23(22)28-24(27)19-8-6-18(13-25)7-9-19/h6-9,11-12,15H,5,10H2,1-4H3