5-[3-(1,3-benzodioxol-5-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[3-(1,3-benzodioxol-5-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[3-(1,3-benzodioxol-5-yl)-5-(p-tolyl)-3,4-dihydropyrazol-2-yl]-5-oxo-pentanoic acid CAS Name: 5-[3-(1,3-benzodioxol-5-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid IUPAC Name: 5-[3-(1,3-benzodioxol-5-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid Traditional Name: 5-[5-(1,3-benzodioxol-5-yl)-3-(p-tolyl)-2-pyrazolin-1-yl]-5-keto-valeric acid Formula: C22H22N2O5 MolecularWeight: 394.42048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC4=C(C=C3)OCO4)C(=O)CCCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC4=C(C=C3)OCO4)C(=O)CCCC(=O)O

InChI

InChI=1S/C22H22N2O5/c1-14-5-7-15(8-6-14)17-12-18(16-9-10-19-20(11-16)29-13-28-19)24(23-17)21(25)3-2-4-22(26)27/h5-11,18H,2-4,12-13H2,1H3,(H,26,27)