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

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 2-[4-[1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]phenyl]-6-bromanyl-8-ethyl-quinoline-4-carboxylate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 6-bromo-2-[4-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]-8-ethyl-quinoline-4-carboxylate CAS Name: 6-bromo-2-[4-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]-8-ethyl-4-quinolinecarboxylic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 6-bromo-2-[4-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]-8-ethylquinoline-4-carboxylate Traditional Name: 6-bromo-2-[4-(1,3-diketo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]-8-ethyl-cinchoninic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C34H26Br2N2O5 MolecularWeight: 702.38864

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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)C5CC=CCC5C4=O)C(=O)OCC(=O)C6=CC=C(C=C6)Br

Isomeric SMILES

CCC1=C2C(=CC(=C1)Br)C(=CC(=N2)C3=CC=C(C=C3)N4C(=O)C5CC=CCC5C4=O)C(=O)OCC(=O)C6=CC=C(C=C6)Br

InChI

InChI=1S/C34H26Br2N2O5/c1-2-19-15-23(36)16-27-28(34(42)43-18-30(39)21-7-11-22(35)12-8-21)17-29(37-31(19)27)20-9-13-24(14-10-20)38-32(40)25-5-3-4-6-26(25)33(38)41/h3-4,7-17,25-26H,2,5-6,18H2,1H3