[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl] 6-bromanyl-8-methyl-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-methoxyphenyl)-2-oxidanylidene-ethyl] 6-bromanyl-8-methyl-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-methoxyphenyl)-2-oxo-ethyl] 6-bromo-8-methyl-2-[4-(5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]quinoline-4-carboxylate CAS Name: 6-bromo-8-methyl-2-[4-(5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]-4-quinolinecarboxylic acid [2-(3-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-methoxyphenyl)-2-oxoethyl] 6-bromo-8-methyl-2-[4-(5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]quinoline-4-carboxylate Traditional Name: 6-bromo-2-[4-(1,3-diketo-5-methyl-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]-8-methyl-cinchoninic acid [2-keto-2-(3-methoxyphenyl)ethyl] ester Formula: C35H31BrN2O6 MolecularWeight: 655.53444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H31BrN2O6/c1-19-7-12-26-28(13-19)34(41)38(33(26)40)24-10-8-21(9-11-24)30-17-29(27-16-23(36)14-20(2)32(27)37-30)35(42)44-18-31(39)22-5-4-6-25(15-22)43-3/h4-6,8-11,14-17,19,26,28H,7,12-13,18H2,1-3H3