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

Systemtic Name: (1-oxidanylidene-1-phenyl-butan-2-yl) 6-bromanyl-8-methyl-2-[4-[4-methyl-1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]phenyl]quinoline-4-carboxylate Openeye Name: 1-benzoylpropyl 6-bromo-8-methyl-2-[4-(4-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]quinoline-4-carboxylate CAS Name: 6-bromo-8-methyl-2-[4-(4-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]-4-quinolinecarboxylic acid (1-oxo-1-phenylbutan-2-yl) ester IUPAC Name: (1-oxo-1-phenylbutan-2-yl) 6-bromo-8-methyl-2-[4-(4-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]quinoline-4-carboxylate Traditional Name: 6-bromo-2-[4-(1,3-diketo-4-methyl-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]-8-methyl-cinchoninic acid 1-benzoylpropyl ester Formula: C36H31BrN2O5 MolecularWeight: 651.54574

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=NC3=C(C=C(C=C23)Br)C)C4=CC=C(C=C4)N5C(=O)C6CC=CC(C6C5=O)C

Isomeric SMILES

CCC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=NC3=C(C=C(C=C23)Br)C)C4=CC=C(C=C4)N5C(=O)C6CC=CC(C6C5=O)C

InChI

InChI=1S/C36H31BrN2O5/c1-4-30(33(40)23-10-6-5-7-11-23)44-36(43)28-19-29(38-32-21(3)17-24(37)18-27(28)32)22-13-15-25(16-14-22)39-34(41)26-12-8-9-20(2)31(26)35(39)42/h5-11,13-20,26,30-31H,4,12H2,1-3H3