2-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]hexanoic acid

Systemtic Name: 2-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]hexanoic acid Openeye Name: 2-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]hexanoic acid CAS Name: 2-[[(E)-3-(1-methyl-4-pyrazolyl)-1-oxoprop-2-enyl]amino]hexanoic acid IUPAC Name: 2-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]hexanoic acid Traditional Name: 2-[[(E)-3-(1-methylpyrazol-4-yl)acryloyl]amino]hexanoic acid Formula: C13H19N3O3 MolecularWeight: 265.30826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC(=O)C=CC1=CN(N=C1)C

Isomeric SMILES

CCCCC(C(=O)O)NC(=O)/C=C/C1=CN(N=C1)C

InChI

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