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

Systemtic Name: phenacyl 2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]-6-bromanyl-8-methyl-quinoline-4-carboxylate Openeye Name: phenacyl 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 phenacyl ester IUPAC Name: phenacyl 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 phenacyl ester Formula: C33H21BrN2O5 MolecularWeight: 605.43424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)Br)C(=CC(=N2)C3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O)C(=O)OCC(=O)C6=CC=CC=C6

Isomeric SMILES

CC1=C2C(=CC(=C1)Br)C(=CC(=N2)C3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O)C(=O)OCC(=O)C6=CC=CC=C6

InChI

InChI=1S/C33H21BrN2O5/c1-19-15-22(34)16-26-27(33(40)41-18-29(37)21-7-3-2-4-8-21)17-28(35-30(19)26)20-11-13-23(14-12-20)36-31(38)24-9-5-6-10-25(24)32(36)39/h2-17H,18H2,1H3