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

Systemtic Name: 2-[(3-ethanoyl-7-methoxy-2-oxidanyl-4-oxidanylidene-quinolin-1-yl)methyl]-6-phenyl-benzoic acid Openeye Name: 2-[(3-acetyl-2-hydroxy-7-methoxy-4-oxo-1-quinolyl)methyl]-6-phenyl-benzoic acid CAS Name: 2-[(3-acetyl-2-hydroxy-7-methoxy-4-oxo-1-quinolinyl)methyl]-6-phenylbenzoic acid IUPAC Name: 2-[(3-acetyl-2-hydroxy-7-methoxy-4-oxoquinolin-1-yl)methyl]-6-phenylbenzoic acid Traditional Name: 2-[(3-acetyl-2-hydroxy-4-keto-7-methoxy-1-quinolyl)methyl]-6-phenyl-benzoic acid Formula: C26H21NO6 MolecularWeight: 443.44804

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(N(C2=C(C1=O)C=CC(=C2)OC)CC3=CC=CC(=C3C(=O)O)C4=CC=CC=C4)O

Isomeric SMILES

CC(=O)C1=C(N(C2=C(C1=O)C=CC(=C2)OC)CC3=CC=CC(=C3C(=O)O)C4=CC=CC=C4)O

InChI

InChI=1S/C26H21NO6/c1-15(28)22-24(29)20-12-11-18(33-2)13-21(20)27(25(22)30)14-17-9-6-10-19(23(17)26(31)32)16-7-4-3-5-8-16/h3-13,30H,14H2,1-2H3,(H,31,32)