[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl] 2-[4-[1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl]-6-bromanyl-8-ethyl-quinoline-4-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC(=C1)Br)C(=CC(=N2)C3=CC=C(C=C3)N4C(=O)C5CCCCC5C4=O)C(=O)OCC(=O)C6=CC=C(C=C6)OC

Isomeric SMILES

CCC1=C2C(=CC(=C1)Br)C(=CC(=N2)C3=CC=C(C=C3)N4C(=O)C5CCCCC5C4=O)C(=O)OCC(=O)C6=CC=C(C=C6)OC

InChI

InChI=1S/C35H31BrN2O6/c1-3-20-16-23(36)17-28-29(35(42)44-19-31(39)22-10-14-25(43-2)15-11-22)18-30(37-32(20)28)21-8-12-24(13-9-21)38-33(40)26-6-4-5-7-27(26)34(38)41/h8-18,26-27H,3-7,19H2,1-2H3