1-[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]piperidine-4-carboxylic acid Openeye Name: 1-[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]piperidine-4-carboxylic acid CAS Name: 1-[(E)-3-(1-methyl-4-pyrazolyl)-1-oxoprop-2-enyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]piperidine-4-carboxylic acid Traditional Name: 1-[(E)-3-(1-methylpyrazol-4-yl)acryloyl]isonipecotic acid Formula: C13H17N3O3 MolecularWeight: 263.29238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C=CC(=O)N2CCC(CC2)C(=O)O

Isomeric SMILES

CN1C=C(C=N1)/C=C/C(=O)N2CCC(CC2)C(=O)O

InChI

InChI=1S/C13H17N3O3/c1-15-9-10(8-14-15)2-3-12(17)16-6-4-11(5-7-16)13(18)19/h2-3,8-9,11H,4-7H2,1H3,(H,18,19)/b3-2+