4-[3-(2-chloranyl-7-methoxy-quinolin-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[3-(2-chloranyl-7-methoxy-quinolin-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-(2-chloro-7-methoxy-3-quinolyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-butanoic acid CAS Name: 4-[3-(2-chloro-7-methoxy-3-quinolinyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid IUPAC Name: 4-[3-(2-chloro-7-methoxyquinolin-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid Traditional Name: 4-[5-(2-chloro-7-methoxy-3-quinolyl)-3-phenyl-2-pyrazolin-1-yl]-4-keto-butyric acid Formula: C23H20ClN3O4 MolecularWeight: 437.8756

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC(=C(C=C2C=C1)C3CC(=NN3C(=O)CCC(=O)O)C4=CC=CC=C4)Cl

Isomeric SMILES

COC1=CC2=NC(=C(C=C2C=C1)C3CC(=NN3C(=O)CCC(=O)O)C4=CC=CC=C4)Cl

InChI

InChI=1S/C23H20ClN3O4/c1-31-16-8-7-15-11-17(23(24)25-18(15)12-16)20-13-19(14-5-3-2-4-6-14)26-27(20)21(28)9-10-22(29)30/h2-8,11-12,20H,9-10,13H2,1H3,(H,29,30)