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

Systemtic Name: (1-oxidanylidene-1-phenyl-propan-2-yl) 2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]-6-bromanyl-8-ethyl-quinoline-4-carboxylate Openeye Name: (1-methyl-2-oxo-2-phenyl-ethyl) 6-bromo-2-[4-(1,3-dioxoisoindolin-2-yl)phenyl]-8-ethyl-quinoline-4-carboxylate CAS Name: 6-bromo-2-[4-(1,3-dioxo-2-isoindolyl)phenyl]-8-ethyl-4-quinolinecarboxylic acid (1-oxo-1-phenylpropan-2-yl) ester IUPAC Name: (1-oxo-1-phenylpropan-2-yl) 6-bromo-2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-8-ethylquinoline-4-carboxylate Traditional Name: 6-bromo-8-ethyl-2-(4-phthalimidophenyl)cinchoninic acid (2-keto-1-methyl-2-phenyl-ethyl) ester Formula: C35H25BrN2O5 MolecularWeight: 633.4874

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC(=C1)Br)C(=CC(=N2)C3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O)C(=O)OC(C)C(=O)C6=CC=CC=C6

Isomeric SMILES

CCC1=C2C(=CC(=C1)Br)C(=CC(=N2)C3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O)C(=O)OC(C)C(=O)C6=CC=CC=C6

InChI

InChI=1S/C35H25BrN2O5/c1-3-21-17-24(36)18-28-29(35(42)43-20(2)32(39)23-9-5-4-6-10-23)19-30(37-31(21)28)22-13-15-25(16-14-22)38-33(40)26-11-7-8-12-27(26)34(38)41/h4-20H,3H2,1-2H3