3-(2-ethoxy-5-octyl-phenyl)-1H-pyrazole-5-carboxylic acid

Systemtic Name: 3-(2-ethoxy-5-octyl-phenyl)-1H-pyrazole-5-carboxylic acid Openeye Name: 3-(2-ethoxy-5-octyl-phenyl)-1H-pyrazole-5-carboxylic acid CAS Name: 3-(2-ethoxy-5-octylphenyl)-1H-pyrazole-5-carboxylic acid IUPAC Name: 3-(2-ethoxy-5-octylphenyl)-1H-pyrazole-5-carboxylic acid Traditional Name: 3-(2-ethoxy-5-octyl-phenyl)-1H-pyrazole-5-carboxylic acid Formula: C20H28N2O3 MolecularWeight: 344.44792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=C(C=C1)OCC)C2=NNC(=C2)C(=O)O

Isomeric SMILES

CCCCCCCCC1=CC(=C(C=C1)OCC)C2=NNC(=C2)C(=O)O

InChI

InChI=1S/C20H28N2O3/c1-3-5-6-7-8-9-10-15-11-12-19(25-4-2)16(13-15)17-14-18(20(23)24)22-21-17/h11-14H,3-10H2,1-2H3,(H,21,22)(H,23,24)