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

Systemtic Name: [2-[(Z)-1-(3-acetamidophenyl)-3-methyl-3-oxidanyl-but-1-enyl]-4-(phenylcarbonyl)phenyl] benzoate Openeye Name: [2-[(Z)-1-(3-acetamidophenyl)-3-hydroxy-3-methyl-but-1-enyl]-4-benzoyl-phenyl] benzoate CAS Name: benzoic acid [2-[(Z)-1-(3-acetamidophenyl)-3-hydroxy-3-methylbut-1-enyl]-4-benzoylphenyl] ester IUPAC Name: [2-[(Z)-1-(3-acetamidophenyl)-3-hydroxy-3-methylbut-1-enyl]-4-benzoylphenyl] benzoate Traditional Name: benzoic acid [2-[(Z)-1-(3-acetamidophenyl)-3-hydroxy-3-methyl-but-1-enyl]-4-benzoyl-phenyl] ester Formula: C33H29NO5 MolecularWeight: 519.58706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C(=CC(C)(C)O)C2=C(C=CC(=C2)C(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)/C(=C/C(C)(C)O)/C2=C(C=CC(=C2)C(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C33H29NO5/c1-22(35)34-27-16-10-15-25(19-27)29(21-33(2,3)38)28-20-26(31(36)23-11-6-4-7-12-23)17-18-30(28)39-32(37)24-13-8-5-9-14-24/h4-21,38H,1-3H3,(H,34,35)/b29-21-