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

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

CN1C=C(C=N1)C=CC(=O)N(C)CCCC(=O)O

Isomeric SMILES

CN1C=C(C=N1)/C=C/C(=O)N(C)CCCC(=O)O

InChI

InChI=1S/C12H17N3O3/c1-14(7-3-4-12(17)18)11(16)6-5-10-8-13-15(2)9-10/h5-6,8-9H,3-4,7H2,1-2H3,(H,17,18)/b6-5+