2-[(7-ethyl-2-oxidanyl-4-oxidanylidene-3-phenyl-quinolin-1-yl)methyl]-6-phenyl-benzoic acid

Systemtic Name: 2-[(7-ethyl-2-oxidanyl-4-oxidanylidene-3-phenyl-quinolin-1-yl)methyl]-6-phenyl-benzoic acid Openeye Name: 2-[(7-ethyl-2-hydroxy-4-oxo-3-phenyl-1-quinolyl)methyl]-6-phenyl-benzoic acid CAS Name: 2-[(7-ethyl-2-hydroxy-4-oxo-3-phenyl-1-quinolinyl)methyl]-6-phenylbenzoic acid IUPAC Name: 2-[(7-ethyl-2-hydroxy-4-oxo-3-phenylquinolin-1-yl)methyl]-6-phenylbenzoic acid Traditional Name: 2-[(7-ethyl-2-hydroxy-4-keto-3-phenyl-1-quinolyl)methyl]-6-phenyl-benzoic acid Formula: C31H25NO4 MolecularWeight: 475.5345

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=O)C(=C(N2CC3=CC=CC(=C3C(=O)O)C4=CC=CC=C4)O)C5=CC=CC=C5

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=O)C(=C(N2CC3=CC=CC(=C3C(=O)O)C4=CC=CC=C4)O)C5=CC=CC=C5

InChI

InChI=1S/C31H25NO4/c1-2-20-16-17-25-26(18-20)32(30(34)28(29(25)33)22-12-7-4-8-13-22)19-23-14-9-15-24(27(23)31(35)36)21-10-5-3-6-11-21/h3-18,34H,2,19H2,1H3,(H,35,36)