ethyl (1S,6S)-4-(4-methylphenyl)-2-oxidanylidene-6-(4-propan-2-ylphenyl)cyclohex-3-ene-1-carboxylate

Systemtic Name: ethyl (1S,6S)-4-(4-methylphenyl)-2-oxidanylidene-6-(4-propan-2-ylphenyl)cyclohex-3-ene-1-carboxylate Openeye Name: ethyl (1S,6S)-6-(4-isopropylphenyl)-2-oxo-4-(p-tolyl)cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-4-(4-methylphenyl)-2-oxo-6-(4-propan-2-ylphenyl)-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,6S)-4-(4-methylphenyl)-2-oxo-6-(4-propan-2-ylphenyl)cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-2-keto-6-p-cumenyl-4-(p-tolyl)cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C25H28O3 MolecularWeight: 376.48802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CC(=CC1=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCOC(=O)[C@H]1[C@H](CC(=CC1=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C25H28O3/c1-5-28-25(27)24-22(20-12-10-18(11-13-20)16(2)3)14-21(15-23(24)26)19-8-6-17(4)7-9-19/h6-13,15-16,22,24H,5,14H2,1-4H3/t22-,24+/m1/s1