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

Systemtic Name: [1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 2-[4-[1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl]-6-bromanyl-quinoline-4-carboxylate Openeye Name: [1-methyl-2-oxo-2-(p-tolyl)ethyl] 6-bromo-2-[4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]quinoline-4-carboxylate CAS Name: 6-bromo-2-[4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]-4-quinolinecarboxylic acid [1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methylphenyl)-1-oxopropan-2-yl] 6-bromo-2-[4-(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-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]cinchoninic acid [2-keto-1-methyl-2-(p-tolyl)ethyl] ester Formula: C34H29BrN2O5 MolecularWeight: 625.50846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=C(C=C4)N5C(=O)C6CCCCC6C5=O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=C(C=C4)N5C(=O)C6CCCCC6C5=O

InChI

InChI=1S/C34H29BrN2O5/c1-19-7-9-22(10-8-19)31(38)20(2)42-34(41)28-18-30(36-29-16-13-23(35)17-27(28)29)21-11-14-24(15-12-21)37-32(39)25-5-3-4-6-26(25)33(37)40/h7-18,20,25-26H,3-6H2,1-2H3