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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C=CC(=O)N2CCCC(C2)C(=O)O

Isomeric SMILES

CN1C=C(C=N1)/C=C/C(=O)N2CCCC(C2)C(=O)O

InChI

InChI=1S/C13H17N3O3/c1-15-8-10(7-14-15)4-5-12(17)16-6-2-3-11(9-16)13(18)19/h4-5,7-8,11H,2-3,6,9H2,1H3,(H,18,19)/b5-4+