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

Systemtic Name: (E)-3-[5-(2-ethylhexoxy)-1,3-dimethyl-pyrazol-4-yl]prop-2-enoic acid Openeye Name: (E)-3-[5-(2-ethylhexoxy)-1,3-dimethyl-pyrazol-4-yl]prop-2-enoic acid CAS Name: (E)-3-[5-(2-ethylhexoxy)-1,3-dimethyl-4-pyrazolyl]-2-propenoic acid IUPAC Name: (E)-3-[5-(2-ethylhexoxy)-1,3-dimethylpyrazol-4-yl]prop-2-enoic acid Traditional Name: (E)-3-[5-(2-ethylhexoxy)-1,3-dimethyl-pyrazol-4-yl]acrylic acid Formula: C16H26N2O3 MolecularWeight: 294.38924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC1=C(C(=NN1C)C)C=CC(=O)O

Isomeric SMILES

CCCCC(CC)COC1=C(C(=NN1C)C)/C=C/C(=O)O

InChI

InChI=1S/C16H26N2O3/c1-5-7-8-13(6-2)11-21-16-14(9-10-15(19)20)12(3)17-18(16)4/h9-10,13H,5-8,11H2,1-4H3,(H,19,20)/b10-9+