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

Systemtic Name: (E)-3-[1,3-dimethyl-5-(oxan-2-ylmethoxy)pyrazol-4-yl]prop-2-enoic acid Openeye Name: (E)-3-[1,3-dimethyl-5-(tetrahydropyran-2-ylmethoxy)pyrazol-4-yl]prop-2-enoic acid CAS Name: (E)-3-[1,3-dimethyl-5-(2-oxanylmethoxy)-4-pyrazolyl]-2-propenoic acid IUPAC Name: (E)-3-[1,3-dimethyl-5-(oxan-2-ylmethoxy)pyrazol-4-yl]prop-2-enoic acid Traditional Name: (E)-3-[1,3-dimethyl-5-(tetrahydropyran-2-ylmethoxy)pyrazol-4-yl]acrylic acid Formula: C14H20N2O4 MolecularWeight: 280.3196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)O)OCC2CCCCO2)C

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)O)OCC2CCCCO2)C

InChI

InChI=1S/C14H20N2O4/c1-10-12(6-7-13(17)18)14(16(2)15-10)20-9-11-5-3-4-8-19-11/h6-7,11H,3-5,8-9H2,1-2H3,(H,17,18)/b7-6+