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

Systemtic Name: (E)-3-[5-(4-methoxypiperidin-1-yl)-1,3-dimethyl-pyrazol-4-yl]prop-2-enoic acid Openeye Name: (E)-3-[5-(4-methoxy-1-piperidyl)-1,3-dimethyl-pyrazol-4-yl]prop-2-enoic acid CAS Name: (E)-3-[5-(4-methoxy-1-piperidinyl)-1,3-dimethyl-4-pyrazolyl]-2-propenoic acid IUPAC Name: (E)-3-[5-(4-methoxypiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]prop-2-enoic acid Traditional Name: (E)-3-[5-(4-methoxypiperidino)-1,3-dimethyl-pyrazol-4-yl]acrylic acid Formula: C14H21N3O3 MolecularWeight: 279.33484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)O)N2CCC(CC2)OC)C

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)O)N2CCC(CC2)OC)C

InChI

InChI=1S/C14H21N3O3/c1-10-12(4-5-13(18)19)14(16(2)15-10)17-8-6-11(20-3)7-9-17/h4-5,11H,6-9H2,1-3H3,(H,18,19)/b5-4+