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

Systemtic Name: 7-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]heptanoic acid Openeye Name: 7-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]heptanoic acid CAS Name: 7-[[(E)-3-(1-methyl-4-pyrazolyl)-1-oxoprop-2-enyl]amino]heptanoic acid IUPAC Name: 7-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]heptanoic acid Traditional Name: 7-[[(E)-3-(1-methylpyrazol-4-yl)acryloyl]amino]enanthic acid Formula: C14H21N3O3 MolecularWeight: 279.33484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CN1C=C(C=N1)/C=C/C(=O)NCCCCCCC(=O)O

InChI

InChI=1S/C14H21N3O3/c1-17-11-12(10-16-17)7-8-13(18)15-9-5-3-2-4-6-14(19)20/h7-8,10-11H,2-6,9H2,1H3,(H,15,18)(H,19,20)/b8-7+