4-(3-methyl-1-pentyl-pyrazol-4-yl)benzoic acid

Systemtic Name: 4-(3-methyl-1-pentyl-pyrazol-4-yl)benzoic acid Openeye Name: 4-(3-methyl-1-pentyl-pyrazol-4-yl)benzoic acid CAS Name: 4-(3-methyl-1-pentyl-4-pyrazolyl)benzoic acid IUPAC Name: 4-(3-methyl-1-pentylpyrazol-4-yl)benzoic acid Traditional Name: 4-(1-amyl-3-methyl-pyrazol-4-yl)benzoic acid Formula: C16H20N2O2 MolecularWeight: 272.3422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O2/c1-3-4-5-10-18-11-15(12(2)17-18)13-6-8-14(9-7-13)16(19)20/h6-9,11H,3-5,10H2,1-2H3,(H,19,20)