6-[[(E)-3-(2-methylpyrazol-3-yl)prop-2-enoyl]amino]hexanoic acid

Systemtic Name: 6-[[(E)-3-(2-methylpyrazol-3-yl)prop-2-enoyl]amino]hexanoic acid Openeye Name: 6-[[(E)-3-(2-methylpyrazol-3-yl)prop-2-enoyl]amino]hexanoic acid CAS Name: 6-[[(E)-3-(2-methyl-3-pyrazolyl)-1-oxoprop-2-enyl]amino]hexanoic acid IUPAC Name: 6-[[(E)-3-(2-methylpyrazol-3-yl)prop-2-enoyl]amino]hexanoic acid Traditional Name: 6-[[(E)-3-(2-methylpyrazol-3-yl)acryloyl]amino]hexanoic acid Formula: C13H19N3O3 MolecularWeight: 265.30826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=N1)C=CC(=O)NCCCCCC(=O)O

Isomeric SMILES

CN1C(=CC=N1)/C=C/C(=O)NCCCCCC(=O)O

InChI

InChI=1S/C13H19N3O3/c1-16-11(8-10-15-16)6-7-12(17)14-9-4-2-3-5-13(18)19/h6-8,10H,2-5,9H2,1H3,(H,14,17)(H,18,19)/b7-6+