6-[[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]hexanoic acid

Systemtic Name: 6-[[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]hexanoic acid Openeye Name: 6-[[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]hexanoic acid CAS Name: 6-[[(E)-1-oxo-3-(1,3,5-trimethyl-4-pyrazolyl)prop-2-enyl]amino]hexanoic acid IUPAC Name: 6-[[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]hexanoic acid Traditional Name: 6-[[(E)-3-(1,3,5-trimethylpyrazol-4-yl)acryloyl]amino]hexanoic acid Formula: C15H23N3O3 MolecularWeight: 293.36142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C=CC(=O)NCCCCCC(=O)O

Isomeric SMILES

CC1=C(C(=NN1C)C)/C=C/C(=O)NCCCCCC(=O)O

InChI

InChI=1S/C15H23N3O3/c1-11-13(12(2)18(3)17-11)8-9-14(19)16-10-6-4-5-7-15(20)21/h8-9H,4-7,10H2,1-3H3,(H,16,19)(H,20,21)/b9-8+