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

Systemtic Name: ethyl 3-[2-[4-(2-ethylphenyl)butanoylperoxy]-4-(pyridin-3-ylmethoxy)phenyl]-1H-pyrazole-5-carboxylate Openeye Name: ethyl 3-[2-[4-(2-ethylphenyl)butanoylperoxy]-4-(3-pyridylmethoxy)phenyl]-1H-pyrazole-5-carboxylate CAS Name: 3-[2-[4-(2-ethylphenyl)-1-oxobutyl]dioxy-4-(3-pyridinylmethoxy)phenyl]-1H-pyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[2-[4-(2-ethylphenyl)butanoylperoxy]-4-(pyridin-3-ylmethoxy)phenyl]-1H-pyrazole-5-carboxylate Traditional Name: 3-[2-[4-(2-ethylphenyl)butanoylperoxy]-4-(3-pyridylmethoxy)phenyl]-1H-pyrazole-5-carboxylic acid ethyl ester Formula: C30H31N3O6 MolecularWeight: 529.58364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1CCCC(=O)OOC2=C(C=CC(=C2)OCC3=CN=CC=C3)C4=NNC(=C4)C(=O)OCC

Isomeric SMILES

CCC1=CC=CC=C1CCCC(=O)OOC2=C(C=CC(=C2)OCC3=CN=CC=C3)C4=NNC(=C4)C(=O)OCC

InChI

InChI=1S/C30H31N3O6/c1-3-22-10-5-6-11-23(22)12-7-13-29(34)39-38-28-17-24(37-20-21-9-8-16-31-19-21)14-15-25(28)26-18-27(33-32-26)30(35)36-4-2/h5-6,8-11,14-19H,3-4,7,12-13,20H2,1-2H3,(H,32,33)