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

Systemtic Name: [2-(3-methoxyphenyl)-2-oxidanylidene-ethyl] 2-[4-[1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl]-6-bromanyl-8-methyl-quinoline-4-carboxylate Openeye Name: [2-(3-methoxyphenyl)-2-oxo-ethyl] 6-bromo-2-[4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]-8-methyl-quinoline-4-carboxylate CAS Name: 6-bromo-2-[4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]-8-methyl-4-quinolinecarboxylic acid [2-(3-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-methoxyphenyl)-2-oxoethyl] 6-bromo-2-[4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]-8-methylquinoline-4-carboxylate Traditional Name: 6-bromo-2-[4-(1,3-diketo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]-8-methyl-cinchoninic acid [2-keto-2-(3-methoxyphenyl)ethyl] ester Formula: C34H29BrN2O6 MolecularWeight: 641.50786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)Br)C(=CC(=N2)C3=CC=C(C=C3)N4C(=O)C5CCCCC5C4=O)C(=O)OCC(=O)C6=CC(=CC=C6)OC

Isomeric SMILES

CC1=C2C(=CC(=C1)Br)C(=CC(=N2)C3=CC=C(C=C3)N4C(=O)C5CCCCC5C4=O)C(=O)OCC(=O)C6=CC(=CC=C6)OC

InChI

InChI=1S/C34H29BrN2O6/c1-19-14-22(35)16-27-28(34(41)43-18-30(38)21-6-5-7-24(15-21)42-2)17-29(36-31(19)27)20-10-12-23(13-11-20)37-32(39)25-8-3-4-9-26(25)33(37)40/h5-7,10-17,25-26H,3-4,8-9,18H2,1-2H3