(1-oxidanylidene-1-phenyl-butan-2-yl) 2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]-6-methyl-quinoline-4-carboxylate

Systemtic Name: (1-oxidanylidene-1-phenyl-butan-2-yl) 2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]-6-methyl-quinoline-4-carboxylate Openeye Name: 1-benzoylpropyl 2-[4-(1,3-dioxoisoindolin-2-yl)phenyl]-6-methyl-quinoline-4-carboxylate CAS Name: 2-[4-(1,3-dioxo-2-isoindolyl)phenyl]-6-methyl-4-quinolinecarboxylic acid (1-oxo-1-phenylbutan-2-yl) ester IUPAC Name: (1-oxo-1-phenylbutan-2-yl) 2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-6-methylquinoline-4-carboxylate Traditional Name: 6-methyl-2-(4-phthalimidophenyl)cinchoninic acid 1-benzoylpropyl ester Formula: C35H26N2O5 MolecularWeight: 554.59134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H26N2O5/c1-3-31(32(38)23-9-5-4-6-10-23)42-35(41)28-20-30(36-29-18-13-21(2)19-27(28)29)22-14-16-24(17-15-22)37-33(39)25-11-7-8-12-26(25)34(37)40/h4-20,31H,3H2,1-2H3