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

Systemtic Name: 3-(2-methoxy-5-octyl-phenyl)-1H-pyrazole-5-carboxylic acid Openeye Name: 3-(2-methoxy-5-octyl-phenyl)-1H-pyrazole-5-carboxylic acid CAS Name: 3-(2-methoxy-5-octylphenyl)-1H-pyrazole-5-carboxylic acid IUPAC Name: 3-(2-methoxy-5-octylphenyl)-1H-pyrazole-5-carboxylic acid Traditional Name: 3-(2-methoxy-5-octyl-phenyl)-1H-pyrazole-5-carboxylic acid Formula: C19H26N2O3 MolecularWeight: 330.42134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O3/c1-3-4-5-6-7-8-9-14-10-11-18(24-2)15(12-14)16-13-17(19(22)23)21-20-16/h10-13H,3-9H2,1-2H3,(H,20,21)(H,22,23)