[2-[4-(4-methylphenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 3-[1,3-bis(oxidanylidene)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]benzoate

Systemtic Name: [2-[4-(4-methylphenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 3-[1,3-bis(oxidanylidene)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]benzoate Openeye Name: [2-[4-(4-methylbenzoyl)oxyphenyl]-2-oxo-ethyl] 3-(1,3-dioxo-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzoate CAS Name: 3-(1,3-dioxo-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzoic acid [2-[4-[(4-methylphenyl)-oxomethoxy]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methylbenzoyl)oxyphenyl]-2-oxoethyl] 3-(1,3-dioxo-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzoate Traditional Name: 3-(1,3-diketo-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzoic acid [2-keto-2-(4-p-toluoyloxyphenyl)ethyl] ester Formula: C37H31NO7 MolecularWeight: 601.64454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)COC(=O)C3=CC(=CC=C3)N4C(=O)C5CCC(CC5C4=O)C6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)COC(=O)C3=CC(=CC=C3)N4C(=O)C5CCC(CC5C4=O)C6=CC=CC=C6

InChI

InChI=1S/C37H31NO7/c1-23-10-12-26(13-11-23)37(43)45-30-17-14-25(15-18-30)33(39)22-44-36(42)28-8-5-9-29(20-28)38-34(40)31-19-16-27(21-32(31)35(38)41)24-6-3-2-4-7-24/h2-15,17-18,20,27,31-32H,16,19,21-22H2,1H3