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

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 6-bromanyl-2-[4-[5-methyl-1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl]quinoline-4-carboxylate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 6-bromo-2-[4-(5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]quinoline-4-carboxylate CAS Name: 6-bromo-2-[4-(5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]-4-quinolinecarboxylic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 6-bromo-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]cinchoninic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C33H26Br2N2O5 MolecularWeight: 690.37794

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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=C5)Br)C(=C4)C(=O)OCC(=O)C6=CC=C(C=C6)Br

Isomeric SMILES

CC1CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)C4=NC5=C(C=C(C=C5)Br)C(=C4)C(=O)OCC(=O)C6=CC=C(C=C6)Br

InChI

InChI=1S/C33H26Br2N2O5/c1-18-2-12-24-26(14-18)32(40)37(31(24)39)23-10-5-19(6-11-23)29-16-27(25-15-22(35)9-13-28(25)36-29)33(41)42-17-30(38)20-3-7-21(34)8-4-20/h3-11,13,15-16,18,24,26H,2,12,14,17H2,1H3