4-(3,5-dimethyl-1-pentyl-pyrazol-4-yl)benzoic acid

Systemtic Name: 4-(3,5-dimethyl-1-pentyl-pyrazol-4-yl)benzoic acid Openeye Name: 4-(3,5-dimethyl-1-pentyl-pyrazol-4-yl)benzoic acid CAS Name: 4-(3,5-dimethyl-1-pentyl-4-pyrazolyl)benzoic acid IUPAC Name: 4-(3,5-dimethyl-1-pentylpyrazol-4-yl)benzoic acid Traditional Name: 4-(1-amyl-3,5-dimethyl-pyrazol-4-yl)benzoic acid Formula: C17H22N2O2 MolecularWeight: 286.36878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=C(C(=N1)C)C2=CC=C(C=C2)C(=O)O)C

Isomeric SMILES

CCCCCN1C(=C(C(=N1)C)C2=CC=C(C=C2)C(=O)O)C

InChI

InChI=1S/C17H22N2O2/c1-4-5-6-11-19-13(3)16(12(2)18-19)14-7-9-15(10-8-14)17(20)21/h7-10H,4-6,11H2,1-3H3,(H,20,21)