(E)-3-[1,3-dimethyl-5-(4-methylpentan-2-yloxy)pyrazol-4-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[1,3-dimethyl-5-(4-methylpentan-2-yloxy)pyrazol-4-yl]prop-2-enoic acid Openeye Name: (E)-3-[5-(1,3-dimethylbutoxy)-1,3-dimethyl-pyrazol-4-yl]prop-2-enoic acid CAS Name: (E)-3-[1,3-dimethyl-5-(4-methylpentan-2-yloxy)-4-pyrazolyl]-2-propenoic acid IUPAC Name: (E)-3-[1,3-dimethyl-5-(4-methylpentan-2-yloxy)pyrazol-4-yl]prop-2-enoic acid Traditional Name: (E)-3-[5-(1,3-dimethylbutoxy)-1,3-dimethyl-pyrazol-4-yl]acrylic acid Formula: C14H22N2O3 MolecularWeight: 266.33608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)O)OC(C)CC(C)C)C

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)O)OC(C)CC(C)C)C

InChI

InChI=1S/C14H22N2O3/c1-9(2)8-10(3)19-14-12(6-7-13(17)18)11(4)15-16(14)5/h6-7,9-10H,8H2,1-5H3,(H,17,18)/b7-6+