3-methyl-2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]butanoic acid

Systemtic Name: 3-methyl-2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]butanoic acid Openeye Name: 3-methyl-2-[[(E)-3-(3-pyridyl)prop-2-enoyl]amino]butanoic acid CAS Name: 3-methyl-2-[[(E)-1-oxo-3-(3-pyridinyl)prop-2-enyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]butanoic acid Traditional Name: 3-methyl-2-[[(E)-3-(3-pyridyl)acryloyl]amino]butyric acid Formula: C13H16N2O3 MolecularWeight: 248.27774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O3/c1-9(2)12(13(17)18)15-11(16)6-5-10-4-3-7-14-8-10/h3-9,12H,1-2H3,(H,15,16)(H,17,18)/b6-5+