[4-cyano-2-[(Z)-2-(4-methoxyphenyl)-3-methyl-3-oxidanyl-but-1-enyl]phenyl] benzoate

Systemtic Name: [4-cyano-2-[(Z)-2-(4-methoxyphenyl)-3-methyl-3-oxidanyl-but-1-enyl]phenyl] benzoate Openeye Name: [4-cyano-2-[(Z)-3-hydroxy-2-(4-methoxyphenyl)-3-methyl-but-1-enyl]phenyl] benzoate CAS Name: benzoic acid [4-cyano-2-[(Z)-3-hydroxy-2-(4-methoxyphenyl)-3-methylbut-1-enyl]phenyl] ester IUPAC Name: [4-cyano-2-[(Z)-3-hydroxy-2-(4-methoxyphenyl)-3-methylbut-1-enyl]phenyl] benzoate Traditional Name: benzoic acid [4-cyano-2-[(Z)-3-hydroxy-2-(4-methoxyphenyl)-3-methyl-but-1-enyl]phenyl] ester Formula: C26H23NO4 MolecularWeight: 413.46512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=CC1=C(C=CC(=C1)C#N)OC(=O)C2=CC=CC=C2)C3=CC=C(C=C3)OC)O

Isomeric SMILES

CC(C)(/C(=C\C1=C(C=CC(=C1)C#N)OC(=O)C2=CC=CC=C2)/C3=CC=C(C=C3)OC)O

InChI

InChI=1S/C26H23NO4/c1-26(2,29)23(19-10-12-22(30-3)13-11-19)16-21-15-18(17-27)9-14-24(21)31-25(28)20-7-5-4-6-8-20/h4-16,29H,1-3H3/b23-16-