[1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl] 2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]-6-bromanyl-quinoline-4-carboxylate

Systemtic Name: [1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl] 2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]-6-bromanyl-quinoline-4-carboxylate Openeye Name: [2-(3-chlorophenyl)-1-methyl-2-oxo-ethyl] 6-bromo-2-[4-(1,3-dioxoisoindolin-2-yl)phenyl]quinoline-4-carboxylate CAS Name: 6-bromo-2-[4-(1,3-dioxo-2-isoindolyl)phenyl]-4-quinolinecarboxylic acid [1-(3-chlorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chlorophenyl)-1-oxopropan-2-yl] 6-bromo-2-[4-(1,3-dioxoisoindol-2-yl)phenyl]quinoline-4-carboxylate Traditional Name: 6-bromo-2-(4-phthalimidophenyl)cinchoninic acid [2-(3-chlorophenyl)-2-keto-1-methyl-ethyl] ester Formula: C33H20BrClN2O5 MolecularWeight: 639.8793

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC(=CC=C1)Cl)OC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=C(C=C4)N5C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

CC(C(=O)C1=CC(=CC=C1)Cl)OC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=C(C=C4)N5C(=O)C6=CC=CC=C6C5=O

InChI

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