3-(4-phenylmethoxy-3-propan-2-yl-phenyl)-1H-pyrazole-5-carboxylic acid

Systemtic Name: 3-(4-phenylmethoxy-3-propan-2-yl-phenyl)-1H-pyrazole-5-carboxylic acid Openeye Name: 3-(4-benzyloxy-3-isopropyl-phenyl)-1H-pyrazole-5-carboxylic acid CAS Name: 3-(4-phenylmethoxy-3-propan-2-ylphenyl)-1H-pyrazole-5-carboxylic acid IUPAC Name: 3-(4-phenylmethoxy-3-propan-2-ylphenyl)-1H-pyrazole-5-carboxylic acid Traditional Name: 3-(4-benzoxy-3-isopropyl-phenyl)-1H-pyrazole-5-carboxylic acid Formula: C20H20N2O3 MolecularWeight: 336.3844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1)C2=NNC(=C2)C(=O)O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)C2=NNC(=C2)C(=O)O)OCC3=CC=CC=C3

InChI

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