3-[4-(2-methylpropoxy)phenyl]-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: 3-[4-(2-methylpropoxy)phenyl]-1-phenyl-pyrazole-4-carboxylate Openeye Name: 3-(4-isobutoxyphenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-[4-(2-methylpropoxy)phenyl]-1-phenyl-4-pyrazolecarboxylate IUPAC Name: 3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(4-isobutoxyphenyl)-1-phenyl-pyrazole-4-carboxylate Formula: C20H19N2O3- MolecularWeight: 335.37646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C2=NN(C=C2C(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C2=NN(C=C2C(=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C20H20N2O3/c1-14(2)13-25-17-10-8-15(9-11-17)19-18(20(23)24)12-22(21-19)16-6-4-3-5-7-16/h3-12,14H,13H2,1-2H3,(H,23,24)/p-1