3-oxidanyl-2,6-diphenyl-5-[4-(1-phenylpropylcarbamoyl)quinolin-3-yl]quinoline-4-carboxylic acid

Systemtic Name: 3-oxidanyl-2,6-diphenyl-5-[4-(1-phenylpropylcarbamoyl)quinolin-3-yl]quinoline-4-carboxylic acid Openeye Name: 3-hydroxy-2,6-diphenyl-5-[4-(1-phenylpropylcarbamoyl)-3-quinolyl]quinoline-4-carboxylic acid CAS Name: 3-hydroxy-5-[4-[oxo-(1-phenylpropylamino)methyl]-3-quinolinyl]-2,6-diphenyl-4-quinolinecarboxylic acid IUPAC Name: 3-hydroxy-2,6-diphenyl-5-[4-(1-phenylpropylcarbamoyl)quinolin-3-yl]quinoline-4-carboxylic acid Traditional Name: 3-hydroxy-2,6-diphenyl-5-[4-(1-phenylpropylcarbamoyl)-3-quinolyl]cinchoninic acid 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=C(C=CC5=NC(=C(C(=C54)C(=O)O)O)C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

CCC(C1=CC=CC=C1)NC(=O)C2=C(C=NC3=CC=CC=C32)C4=C(C=CC5=NC(=C(C(=C54)C(=O)O)O)C6=CC=CC=C6)C7=CC=CC=C7

InChI

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