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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC1=C(C(=NN1C)C)C=CC(=O)O

Isomeric SMILES

CCCCCCC(C)OC1=C(C(=NN1C)C)/C=C/C(=O)O

InChI

InChI=1S/C16H26N2O3/c1-5-6-7-8-9-12(2)21-16-14(10-11-15(19)20)13(3)17-18(16)4/h10-12H,5-9H2,1-4H3,(H,19,20)/b11-10+