[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate CAS Name: 2-(4-phenylphenyl)-4-quinolinecarboxylic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-phenylphenyl)cinchoninic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C32H24N2O5 MolecularWeight: 516.54336

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)C6=CC=CC=C6

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)C6=CC=CC=C6

InChI

InChI=1S/C32H24N2O5/c35-31(33-18-21-10-15-29-30(16-21)39-20-38-29)19-37-32(36)26-17-28(34-27-9-5-4-8-25(26)27)24-13-11-23(12-14-24)22-6-2-1-3-7-22/h1-17H,18-20H2,(H,33,35)