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

Systemtic Name: ethyl (1S,6S)-6-(4-ethylphenyl)-4-(4-methoxyphenyl)-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl (1S,6S)-6-(4-ethylphenyl)-4-(4-methoxyphenyl)-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-(4-ethylphenyl)-4-(4-methoxyphenyl)-2-oxo-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,6S)-6-(4-ethylphenyl)-4-(4-methoxyphenyl)-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-6-(4-ethylphenyl)-2-keto-4-(4-methoxyphenyl)cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C24H26O4 MolecularWeight: 378.46084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26O4/c1-4-16-6-8-18(9-7-16)21-14-19(17-10-12-20(27-3)13-11-17)15-22(25)23(21)24(26)28-5-2/h6-13,15,21,23H,4-5,14H2,1-3H3/t21-,23+/m1/s1