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

Systemtic Name: ethyl (1S,6S)-4-(3,4-dimethoxyphenyl)-6-(2-ethoxyphenyl)-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl (1S,6S)-4-(3,4-dimethoxyphenyl)-6-(2-ethoxyphenyl)-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-4-(3,4-dimethoxyphenyl)-6-(2-ethoxyphenyl)-2-oxo-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,6S)-4-(3,4-dimethoxyphenyl)-6-(2-ethoxyphenyl)-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-4-(3,4-dimethoxyphenyl)-2-keto-6-o-phenetyl-cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C25H28O6 MolecularWeight: 424.48622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2CC(=CC(=O)C2C(=O)OCC)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCOC1=CC=CC=C1[C@H]2CC(=CC(=O)[C@H]2C(=O)OCC)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C25H28O6/c1-5-30-21-10-8-7-9-18(21)19-13-17(14-20(26)24(19)25(27)31-6-2)16-11-12-22(28-3)23(15-16)29-4/h7-12,14-15,19,24H,5-6,13H2,1-4H3/t19-,24+/m1/s1