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

Systemtic Name: (E)-3-[5-(3-ethylpiperidin-1-yl)-1,3-dimethyl-pyrazol-4-yl]prop-2-enoic acid Openeye Name: (E)-3-[5-(3-ethyl-1-piperidyl)-1,3-dimethyl-pyrazol-4-yl]prop-2-enoic acid CAS Name: (E)-3-[5-(3-ethyl-1-piperidinyl)-1,3-dimethyl-4-pyrazolyl]-2-propenoic acid IUPAC Name: (E)-3-[5-(3-ethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]prop-2-enoic acid Traditional Name: (E)-3-[5-(3-ethylpiperidino)-1,3-dimethyl-pyrazol-4-yl]acrylic acid Formula: C15H23N3O2 MolecularWeight: 277.36202

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCN(C1)C2=C(C(=NN2C)C)C=CC(=O)O

Isomeric SMILES

CCC1CCCN(C1)C2=C(C(=NN2C)C)/C=C/C(=O)O

InChI

InChI=1S/C15H23N3O2/c1-4-12-6-5-9-18(10-12)15-13(7-8-14(19)20)11(2)16-17(15)3/h7-8,12H,4-6,9-10H2,1-3H3,(H,19,20)/b8-7+