2-[3,5-dimethyl-1-(3-methylbutyl)pyrazol-4-yl]ethanoic acid

Systemtic Name: 2-[3,5-dimethyl-1-(3-methylbutyl)pyrazol-4-yl]ethanoic acid Openeye Name: 2-(1-isopentyl-3,5-dimethyl-pyrazol-4-yl)acetic acid CAS Name: 2-[3,5-dimethyl-1-(3-methylbutyl)-4-pyrazolyl]acetic acid IUPAC Name: 2-[3,5-dimethyl-1-(3-methylbutyl)pyrazol-4-yl]acetic acid Traditional Name: 2-(1-isoamyl-3,5-dimethyl-pyrazol-4-yl)acetic acid Formula: C12H20N2O2 MolecularWeight: 224.2994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC(C)C)C)CC(=O)O

Isomeric SMILES

CC1=C(C(=NN1CCC(C)C)C)CC(=O)O

InChI

InChI=1S/C12H20N2O2/c1-8(2)5-6-14-10(4)11(7-12(15)16)9(3)13-14/h8H,5-7H2,1-4H3,(H,15,16)