(E)-4-oxidanylidene-4-[propyl(pyridin-3-ylmethyl)amino]but-2-enoic acid

Systemtic Name: (E)-4-oxidanylidene-4-[propyl(pyridin-3-ylmethyl)amino]but-2-enoic acid Openeye Name: (E)-4-oxo-4-[propyl(3-pyridylmethyl)amino]but-2-enoic acid CAS Name: (E)-4-oxo-4-[propyl(3-pyridinylmethyl)amino]-2-butenoic acid IUPAC Name: (E)-4-oxo-4-[propyl(pyridin-3-ylmethyl)amino]but-2-enoic acid Traditional Name: (E)-4-keto-4-[propyl(3-pyridylmethyl)amino]but-2-enoic acid Formula: C13H16N2O3 MolecularWeight: 248.27774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCN(CC1=CN=CC=C1)C(=O)/C=C/C(=O)O

InChI

InChI=1S/C13H16N2O3/c1-2-8-15(12(16)5-6-13(17)18)10-11-4-3-7-14-9-11/h3-7,9H,2,8,10H2,1H3,(H,17,18)/b6-5+