(1-oxidanylidene-1-phenyl-pentan-2-yl) 2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]-6-bromanyl-8-methyl-quinoline-4-carboxylate

Systemtic Name: (1-oxidanylidene-1-phenyl-pentan-2-yl) 2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]-6-bromanyl-8-methyl-quinoline-4-carboxylate Openeye Name: 1-benzoylbutyl 6-bromo-2-[4-(1,3-dioxoisoindolin-2-yl)phenyl]-8-methyl-quinoline-4-carboxylate CAS Name: 6-bromo-2-[4-(1,3-dioxo-2-isoindolyl)phenyl]-8-methyl-4-quinolinecarboxylic acid (1-oxo-1-phenylpentan-2-yl) ester IUPAC Name: (1-oxo-1-phenylpentan-2-yl) 6-bromo-2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-8-methylquinoline-4-carboxylate Traditional Name: 6-bromo-8-methyl-2-(4-phthalimidophenyl)cinchoninic acid 1-benzoylbutyl ester Formula: C36H27BrN2O5 MolecularWeight: 647.51398

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(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)C6=CC=CC=C6C5=O

Isomeric SMILES

CCCC(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)C6=CC=CC=C6C5=O

InChI

InChI=1S/C36H27BrN2O5/c1-3-9-31(33(40)23-10-5-4-6-11-23)44-36(43)29-20-30(38-32-21(2)18-24(37)19-28(29)32)22-14-16-25(17-15-22)39-34(41)26-12-7-8-13-27(26)35(39)42/h4-8,10-20,31H,3,9H2,1-2H3