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

Systemtic Name: ethyl (1S,6S)-4-(4-methoxyphenyl)-2-oxidanylidene-6-phenyl-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl (1S,6S)-4-(4-methoxyphenyl)-2-oxo-6-phenyl-cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-4-(4-methoxyphenyl)-2-oxo-6-phenyl-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,6S)-4-(4-methoxyphenyl)-2-oxo-6-phenylcyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-2-keto-4-(4-methoxyphenyl)-6-phenyl-cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C22H22O4 MolecularWeight: 350.40768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22O4/c1-3-26-22(24)21-19(16-7-5-4-6-8-16)13-17(14-20(21)23)15-9-11-18(25-2)12-10-15/h4-12,14,19,21H,3,13H2,1-2H3/t19-,21+/m1/s1