(1-oxidanylidene-1-phenyl-pentan-2-yl) 2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]quinoline-4-carboxylate

Systemtic Name: (1-oxidanylidene-1-phenyl-pentan-2-yl) 2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]quinoline-4-carboxylate Openeye Name: 1-benzoylbutyl 2-[4-(1,3-dioxoisoindolin-2-yl)phenyl]quinoline-4-carboxylate CAS Name: 2-[4-(1,3-dioxo-2-isoindolyl)phenyl]-4-quinolinecarboxylic acid (1-oxo-1-phenylpentan-2-yl) ester IUPAC Name: (1-oxo-1-phenylpentan-2-yl) 2-[4-(1,3-dioxoisoindol-2-yl)phenyl]quinoline-4-carboxylate Traditional Name: 2-(4-phthalimidophenyl)cinchoninic acid 1-benzoylbutyl ester Formula: C35H26N2O5 MolecularWeight: 554.59134

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)N5C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

CCCC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)N5C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C35H26N2O5/c1-2-10-31(32(38)23-11-4-3-5-12-23)42-35(41)28-21-30(36-29-16-9-8-13-25(28)29)22-17-19-24(20-18-22)37-33(39)26-14-6-7-15-27(26)34(37)40/h3-9,11-21,31H,2,10H2,1H3