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

Systemtic Name: [2-oxidanylidene-2-(4-phenylphenyl)ethyl] 2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]-6-bromanyl-8-ethyl-quinoline-4-carboxylate Openeye Name: [2-oxo-2-(4-phenylphenyl)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 [2-oxo-2-(4-phenylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylphenyl)ethyl] 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-2-(4-phenylphenyl)ethyl] ester Formula: C40H27BrN2O5 MolecularWeight: 695.55678

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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)OCC(=O)C6=CC=C(C=C6)C7=CC=CC=C7

Isomeric SMILES

CCC1=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=C(C=C6)C7=CC=CC=C7

InChI

InChI=1S/C40H27BrN2O5/c1-2-24-20-29(41)21-33-34(40(47)48-23-36(44)28-14-12-26(13-15-28)25-8-4-3-5-9-25)22-35(42-37(24)33)27-16-18-30(19-17-27)43-38(45)31-10-6-7-11-32(31)39(43)46/h3-22H,2,23H2,1H3