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

Systemtic Name: 3-methyl-2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]pentanoic acid Openeye Name: 3-methyl-2-[[(E)-3-(3-pyridyl)prop-2-enoyl]amino]pentanoic acid CAS Name: 3-methyl-2-[[(E)-1-oxo-3-(3-pyridinyl)prop-2-enyl]amino]pentanoic acid IUPAC Name: 3-methyl-2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]pentanoic acid Traditional Name: 3-methyl-2-[[(E)-3-(3-pyridyl)acryloyl]amino]valeric acid Formula: C14H18N2O3 MolecularWeight: 262.30432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O3/c1-3-10(2)13(14(18)19)16-12(17)7-6-11-5-4-8-15-9-11/h4-10,13H,3H2,1-2H3,(H,16,17)(H,18,19)/b7-6+