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

Systemtic Name: ethyl 3-[2-[4-(2-methylphenyl)butanoylperoxy]-4-(pyridin-3-ylmethoxy)phenyl]-1H-pyrazole-5-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C29H29N3O6 MolecularWeight: 515.55706

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NN1)C2=C(C=C(C=C2)OCC3=CN=CC=C3)OOC(=O)CCCC4=CC=CC=C4C

Isomeric SMILES

CCOC(=O)C1=CC(=NN1)C2=C(C=C(C=C2)OCC3=CN=CC=C3)OOC(=O)CCCC4=CC=CC=C4C

InChI

InChI=1S/C29H29N3O6/c1-3-35-29(34)26-17-25(31-32-26)24-14-13-23(36-19-21-9-7-15-30-18-21)16-27(24)37-38-28(33)12-6-11-22-10-5-4-8-20(22)2/h4-5,7-10,13-18H,3,6,11-12,19H2,1-2H3,(H,31,32)