[2-phenyl-4-(1-phenylpropylcarbamoyl)quinolin-3-yl] 3-oxidanyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: [2-phenyl-4-(1-phenylpropylcarbamoyl)quinolin-3-yl] 3-oxidanyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [2-phenyl-4-(1-phenylpropylcarbamoyl)-3-quinolyl] 3-hydroxy-2-phenyl-quinoline-4-carboxylate CAS Name: 3-hydroxy-2-phenyl-4-quinolinecarboxylic acid [4-[oxo-(1-phenylpropylamino)methyl]-2-phenyl-3-quinolinyl] ester IUPAC Name: [2-phenyl-4-(1-phenylpropylcarbamoyl)quinolin-3-yl] 3-hydroxy-2-phenylquinoline-4-carboxylate Traditional Name: 3-hydroxy-2-phenyl-cinchoninic acid [2-phenyl-4-(1-phenylpropylcarbamoyl)-3-quinolyl] ester Formula: C41H31N3O4 MolecularWeight: 629.70254

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)OC(=O)C5=C(C(=NC6=CC=CC=C65)C7=CC=CC=C7)O

Isomeric SMILES

CCC(C1=CC=CC=C1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)OC(=O)C5=C(C(=NC6=CC=CC=C65)C7=CC=CC=C7)O

InChI

InChI=1S/C41H31N3O4/c1-2-31(26-16-6-3-7-17-26)44-40(46)35-30-23-13-15-25-33(30)43-37(28-20-10-5-11-21-28)39(35)48-41(47)34-29-22-12-14-24-32(29)42-36(38(34)45)27-18-8-4-9-19-27/h3-25,31,45H,2H2,1H3,(H,44,46)