2-methylpropyl 3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: 2-methylpropyl 3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: isobutyl 3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(4-methoxyphenyl)-1-phenyl-4-pyrazolecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylic acid isobutyl ester Formula: C21H22N2O3 MolecularWeight: 350.41098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CN(N=C1C2=CC=C(C=C2)OC)C3=CC=CC=C3

Isomeric SMILES

CC(C)COC(=O)C1=CN(N=C1C2=CC=C(C=C2)OC)C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O3/c1-15(2)14-26-21(24)19-13-23(17-7-5-4-6-8-17)22-20(19)16-9-11-18(25-3)12-10-16/h4-13,15H,14H2,1-3H3