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

Systemtic Name: 5-[3-(2-chloranyl-7-methoxy-quinolin-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[3-(2-chloro-7-methoxy-3-quinolyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-5-oxo-pentanoic acid CAS Name: 5-[3-(2-chloro-7-methoxy-3-quinolinyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid IUPAC Name: 5-[3-(2-chloro-7-methoxyquinolin-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid Traditional Name: 5-[5-(2-chloro-7-methoxy-3-quinolyl)-3-phenyl-2-pyrazolin-1-yl]-5-keto-valeric acid Formula: C24H22ClN3O4 MolecularWeight: 451.90218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22ClN3O4/c1-32-17-11-10-16-12-18(24(25)26-19(16)13-17)21-14-20(15-6-3-2-4-7-15)27-28(21)22(29)8-5-9-23(30)31/h2-4,6-7,10-13,21H,5,8-9,14H2,1H3,(H,30,31)