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

Systemtic Name: 3-(3,5-dimethyl-1-pentyl-pyrazol-4-yl)propanoic acid Openeye Name: 3-(3,5-dimethyl-1-pentyl-pyrazol-4-yl)propanoic acid CAS Name: 3-(3,5-dimethyl-1-pentyl-4-pyrazolyl)propanoic acid IUPAC Name: 3-(3,5-dimethyl-1-pentylpyrazol-4-yl)propanoic acid Traditional Name: 3-(1-amyl-3,5-dimethyl-pyrazol-4-yl)propionic acid Formula: C13H22N2O2 MolecularWeight: 238.32598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=C(C(=N1)C)CCC(=O)O)C

Isomeric SMILES

CCCCCN1C(=C(C(=N1)C)CCC(=O)O)C

InChI

InChI=1S/C13H22N2O2/c1-4-5-6-9-15-11(3)12(10(2)14-15)7-8-13(16)17/h4-9H2,1-3H3,(H,16,17)