1-[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]piperidine-3-carboxylic acid Openeye Name: 1-[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]piperidine-3-carboxylic acid CAS Name: 1-[(E)-1-oxo-3-(1,3,5-trimethyl-4-pyrazolyl)prop-2-enyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]piperidine-3-carboxylic acid Traditional Name: 1-[(E)-3-(1,3,5-trimethylpyrazol-4-yl)acryloyl]nipecotic acid Formula: C15H21N3O3 MolecularWeight: 291.34554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C=CC(=O)N2CCCC(C2)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1C)C)/C=C/C(=O)N2CCCC(C2)C(=O)O

InChI

InChI=1S/C15H21N3O3/c1-10-13(11(2)17(3)16-10)6-7-14(19)18-8-4-5-12(9-18)15(20)21/h6-7,12H,4-5,8-9H2,1-3H3,(H,20,21)/b7-6+