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

Systemtic Name: 4-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]butanoic acid Openeye Name: 4-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]butanoic acid CAS Name: 4-[[(E)-3-(1-methyl-4-pyrazolyl)-1-oxoprop-2-enyl]amino]butanoic acid IUPAC Name: 4-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]butanoic acid Traditional Name: 4-[[(E)-3-(1-methylpyrazol-4-yl)acryloyl]amino]butyric acid Formula: C11H15N3O3 MolecularWeight: 237.2551

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15N3O3/c1-14-8-9(7-13-14)4-5-10(15)12-6-2-3-11(16)17/h4-5,7-8H,2-3,6H2,1H3,(H,12,15)(H,16,17)/b5-4+