5-[3-(2-chloranyl-6-methoxy-quinolin-3-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[3-(2-chloranyl-6-methoxy-quinolin-3-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[3-(2-chloro-6-methoxy-3-quinolyl)-5-(p-tolyl)-3,4-dihydropyrazol-2-yl]-5-oxo-pentanoic acid CAS Name: 5-[3-(2-chloro-6-methoxy-3-quinolinyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid IUPAC Name: 5-[3-(2-chloro-6-methoxyquinolin-3-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid Traditional Name: 5-[5-(2-chloro-6-methoxy-3-quinolyl)-3-(p-tolyl)-2-pyrazolin-1-yl]-5-keto-valeric acid Formula: C25H24ClN3O4 MolecularWeight: 465.92876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(C2)C3=C(N=C4C=CC(=CC4=C3)OC)Cl)C(=O)CCCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(C2)C3=C(N=C4C=CC(=CC4=C3)OC)Cl)C(=O)CCCC(=O)O

InChI

InChI=1S/C25H24ClN3O4/c1-15-6-8-16(9-7-15)21-14-22(29(28-21)23(30)4-3-5-24(31)32)19-13-17-12-18(33-2)10-11-20(17)27-25(19)26/h6-13,22H,3-5,14H2,1-2H3,(H,31,32)