5-[3-(2-chlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[3-(2-chlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[3-(2-chlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-5-oxo-pentanoic acid CAS Name: 5-[3-(2-chlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid IUPAC Name: 5-[3-(2-chlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid Traditional Name: 5-[5-(2-chlorophenyl)-3-(4-methoxyphenyl)-2-pyrazolin-1-yl]-5-keto-valeric acid Formula: C21H21ClN2O4 MolecularWeight: 400.85544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CC=C3Cl)C(=O)CCCC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CC=C3Cl)C(=O)CCCC(=O)O

InChI

InChI=1S/C21H21ClN2O4/c1-28-15-11-9-14(10-12-15)18-13-19(16-5-2-3-6-17(16)22)24(23-18)20(25)7-4-8-21(26)27/h2-3,5-6,9-12,19H,4,7-8,13H2,1H3,(H,26,27)