[4-(4-decoxyphenyl)carbonyloxyphenyl] 3,5-dimethyl-1H-pyrazole-4-carboxylate

Systemtic Name: [4-(4-decoxyphenyl)carbonyloxyphenyl] 3,5-dimethyl-1H-pyrazole-4-carboxylate Openeye Name: [4-(4-decoxybenzoyl)oxyphenyl] 3,5-dimethyl-1H-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1H-pyrazole-4-carboxylic acid [4-[(4-decoxyphenyl)-oxomethoxy]phenyl] ester IUPAC Name: [4-(4-decoxybenzoyl)oxyphenyl] 3,5-dimethyl-1H-pyrazole-4-carboxylate Traditional Name: 3,5-dimethyl-1H-pyrazole-4-carboxylic acid [4-(4-decoxybenzoyl)oxyphenyl] ester Formula: C29H36N2O5 MolecularWeight: 492.60654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)OC(=O)C3=C(NN=C3C)C

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)OC(=O)C3=C(NN=C3C)C

InChI

InChI=1S/C29H36N2O5/c1-4-5-6-7-8-9-10-11-20-34-24-14-12-23(13-15-24)28(32)35-25-16-18-26(19-17-25)36-29(33)27-21(2)30-31-22(27)3/h12-19H,4-11,20H2,1-3H3,(H,30,31)