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

Systemtic Name: ethyl (1S,6S)-4-(3,4-dimethoxyphenyl)-6-(4-ethylphenyl)-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl (1S,6S)-4-(3,4-dimethoxyphenyl)-6-(4-ethylphenyl)-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-4-(3,4-dimethoxyphenyl)-6-(4-ethylphenyl)-2-oxo-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,6S)-4-(3,4-dimethoxyphenyl)-6-(4-ethylphenyl)-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-4-(3,4-dimethoxyphenyl)-6-(4-ethylphenyl)-2-keto-cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C25H28O5 MolecularWeight: 408.48682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2CC(=CC(=O)C2C(=O)OCC)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H]2CC(=CC(=O)[C@H]2C(=O)OCC)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C25H28O5/c1-5-16-7-9-17(10-8-16)20-13-19(14-21(26)24(20)25(27)30-6-2)18-11-12-22(28-3)23(15-18)29-4/h7-12,14-15,20,24H,5-6,13H2,1-4H3/t20-,24+/m1/s1