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

Systemtic Name: ethyl (1S,6S)-4-(3,4-dimethoxyphenyl)-6-(2-methylphenyl)-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl (1S,6S)-4-(3,4-dimethoxyphenyl)-6-(o-tolyl)-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-4-(3,4-dimethoxyphenyl)-6-(2-methylphenyl)-2-oxo-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,6S)-4-(3,4-dimethoxyphenyl)-6-(2-methylphenyl)-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-4-(3,4-dimethoxyphenyl)-2-keto-6-(o-tolyl)cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C24H26O5 MolecularWeight: 394.46024

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CC(=CC1=O)C2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)[C@H]1[C@H](CC(=CC1=O)C2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3C

InChI

InChI=1S/C24H26O5/c1-5-29-24(26)23-19(18-9-7-6-8-15(18)2)12-17(13-20(23)25)16-10-11-21(27-3)22(14-16)28-4/h6-11,13-14,19,23H,5,12H2,1-4H3/t19-,23+/m1/s1