3-(3-methoxyphenyl)-1-phenyl-5-propyl-pyrazole-4-carboxylic acid

Systemtic Name: 3-(3-methoxyphenyl)-1-phenyl-5-propyl-pyrazole-4-carboxylic acid Openeye Name: 3-(3-methoxyphenyl)-1-phenyl-5-propyl-pyrazole-4-carboxylic acid CAS Name: 3-(3-methoxyphenyl)-1-phenyl-5-propyl-4-pyrazolecarboxylic acid IUPAC Name: 3-(3-methoxyphenyl)-1-phenyl-5-propylpyrazole-4-carboxylic acid Traditional Name: 3-(3-methoxyphenyl)-1-phenyl-5-propyl-pyrazole-4-carboxylic acid Formula: C20H20N2O3 MolecularWeight: 336.3844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NN1C2=CC=CC=C2)C3=CC(=CC=C3)OC)C(=O)O

Isomeric SMILES

CCCC1=C(C(=NN1C2=CC=CC=C2)C3=CC(=CC=C3)OC)C(=O)O

InChI

InChI=1S/C20H20N2O3/c1-3-8-17-18(20(23)24)19(14-9-7-12-16(13-14)25-2)21-22(17)15-10-5-4-6-11-15/h4-7,9-13H,3,8H2,1-2H3,(H,23,24)