phenacyl 2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]-6-bromanyl-7-chloranyl-8-methyl-quinoline-4-carboxylate

Systemtic Name: phenacyl 2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]-6-bromanyl-7-chloranyl-8-methyl-quinoline-4-carboxylate Openeye Name: phenacyl 6-bromo-7-chloro-2-[4-(1,3-dioxoisoindolin-2-yl)phenyl]-8-methyl-quinoline-4-carboxylate CAS Name: 6-bromo-7-chloro-2-[4-(1,3-dioxo-2-isoindolyl)phenyl]-8-methyl-4-quinolinecarboxylic acid phenacyl ester IUPAC Name: phenacyl 6-bromo-7-chloro-2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-8-methylquinoline-4-carboxylate Traditional Name: 6-bromo-7-chloro-8-methyl-2-(4-phthalimidophenyl)cinchoninic acid phenacyl ester Formula: C33H20BrClN2O5 MolecularWeight: 639.8793

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1Cl)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(=C1Cl)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/C33H20BrClN2O5/c1-18-29(35)26(34)15-24-25(33(41)42-17-28(38)20-7-3-2-4-8-20)16-27(36-30(18)24)19-11-13-21(14-12-19)37-31(39)22-9-5-6-10-23(22)32(37)40/h2-16H,17H2,1H3