[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 2-[4-[1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]phenyl]-7-chloranyl-8-methyl-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]-7-chloranyl-8-methyl-quinoline-4-carboxylate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 7-chloro-2-[4-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]-8-methyl-quinoline-4-carboxylate CAS Name: 7-chloro-2-[4-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]-8-methyl-4-quinolinecarboxylic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 7-chloro-2-[4-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]-8-methylquinoline-4-carboxylate Traditional Name: 7-chloro-2-[4-(1,3-diketo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]-8-methyl-cinchoninic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C33H24BrClN2O5 MolecularWeight: 643.91106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=C(C=C2C(=O)OCC(=O)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)N5C(=O)C6CC=CCC6C5=O)Cl

Isomeric SMILES

CC1=C(C=CC2=C1N=C(C=C2C(=O)OCC(=O)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)N5C(=O)C6CC=CCC6C5=O)Cl

InChI

InChI=1S/C33H24BrClN2O5/c1-18-27(35)15-14-23-26(33(41)42-17-29(38)20-6-10-21(34)11-7-20)16-28(36-30(18)23)19-8-12-22(13-9-19)37-31(39)24-4-2-3-5-25(24)32(37)40/h2-3,6-16,24-25H,4-5,17H2,1H3