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

Systemtic Name: 3-methyl-2-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]butanoic acid Openeye Name: 3-methyl-2-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]butanoic acid CAS Name: 3-methyl-2-[[(E)-3-(1-methyl-4-pyrazolyl)-1-oxoprop-2-enyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]butanoic acid Traditional Name: 3-methyl-2-[[(E)-3-(1-methylpyrazol-4-yl)acryloyl]amino]butyric acid Formula: C12H17N3O3 MolecularWeight: 251.28168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O3/c1-8(2)11(12(17)18)14-10(16)5-4-9-6-13-15(3)7-9/h4-8,11H,1-3H3,(H,14,16)(H,17,18)/b5-4+