methyl 3-[2-[4-(2-methylphenyl)butanoylperoxy]-4-(pyridin-3-ylmethoxy)phenyl]-1H-pyrazole-5-carboxylate

Systemtic Name: methyl 3-[2-[4-(2-methylphenyl)butanoylperoxy]-4-(pyridin-3-ylmethoxy)phenyl]-1H-pyrazole-5-carboxylate Openeye Name: methyl 3-[2-[4-(o-tolyl)butanoylperoxy]-4-(3-pyridylmethoxy)phenyl]-1H-pyrazole-5-carboxylate CAS Name: 3-[2-[4-(2-methylphenyl)-1-oxobutyl]dioxy-4-(3-pyridinylmethoxy)phenyl]-1H-pyrazole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-[2-[4-(2-methylphenyl)butanoylperoxy]-4-(pyridin-3-ylmethoxy)phenyl]-1H-pyrazole-5-carboxylate Traditional Name: 3-[2-[4-(o-tolyl)butanoylperoxy]-4-(3-pyridylmethoxy)phenyl]-1H-pyrazole-5-carboxylic acid methyl ester Formula: C28H27N3O6 MolecularWeight: 501.53048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCCC(=O)OOC2=C(C=CC(=C2)OCC3=CN=CC=C3)C4=NNC(=C4)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1CCCC(=O)OOC2=C(C=CC(=C2)OCC3=CN=CC=C3)C4=NNC(=C4)C(=O)OC

InChI

InChI=1S/C28H27N3O6/c1-19-7-3-4-9-21(19)10-5-11-27(32)37-36-26-15-22(35-18-20-8-6-14-29-17-20)12-13-23(26)24-16-25(31-30-24)28(33)34-2/h3-4,6-9,12-17H,5,10-11,18H2,1-2H3,(H,30,31)