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

Systemtic Name: 3-(2-phenylmethoxy-5-propan-2-yl-phenyl)-1H-pyrazole-5-carboxylic acid Openeye Name: 3-(2-benzyloxy-5-isopropyl-phenyl)-1H-pyrazole-5-carboxylic acid CAS Name: 3-(2-phenylmethoxy-5-propan-2-ylphenyl)-1H-pyrazole-5-carboxylic acid IUPAC Name: 3-(2-phenylmethoxy-5-propan-2-ylphenyl)-1H-pyrazole-5-carboxylic acid Traditional Name: 3-(2-benzoxy-5-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=CC(=C(C=C1)OCC2=CC=CC=C2)C3=NNC(=C3)C(=O)O

Isomeric SMILES

CC(C)C1=CC(=C(C=C1)OCC2=CC=CC=C2)C3=NNC(=C3)C(=O)O

InChI

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