[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 2-[4-[5-methyl-1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl]quinoline-4-carboxylate

Systemtic Name: [2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 2-[4-[5-methyl-1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl]quinoline-4-carboxylate Openeye Name: [2-(3,4-dimethylphenyl)-2-oxo-ethyl] 2-[4-(5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]quinoline-4-carboxylate CAS Name: 2-[4-(5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]-4-quinolinecarboxylic acid [2-(3,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-2-oxoethyl] 2-[4-(5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]quinoline-4-carboxylate Traditional Name: 2-[4-(1,3-diketo-5-methyl-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]cinchoninic acid [2-(3,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C35H32N2O5 MolecularWeight: 560.63898

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)C4=NC5=CC=CC=C5C(=C4)C(=O)OCC(=O)C6=CC(=C(C=C6)C)C

Isomeric SMILES

CC1CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)C4=NC5=CC=CC=C5C(=C4)C(=O)OCC(=O)C6=CC(=C(C=C6)C)C

InChI

InChI=1S/C35H32N2O5/c1-20-8-15-27-28(16-20)34(40)37(33(27)39)25-13-11-23(12-14-25)31-18-29(26-6-4-5-7-30(26)36-31)35(41)42-19-32(38)24-10-9-21(2)22(3)17-24/h4-7,9-14,17-18,20,27-28H,8,15-16,19H2,1-3H3