4-oxidanylidene-4-[prop-2-enyl(pyridin-3-ylmethyl)amino]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[prop-2-enyl(pyridin-3-ylmethyl)amino]butanoic acid Openeye Name: 4-[allyl(3-pyridylmethyl)amino]-4-oxo-butanoic acid CAS Name: 4-oxo-4-[prop-2-enyl(3-pyridinylmethyl)amino]butanoic acid IUPAC Name: 4-oxo-4-[prop-2-enyl(pyridin-3-ylmethyl)amino]butanoic acid Traditional Name: 4-[allyl(3-pyridylmethyl)amino]-4-keto-butyric acid Formula: C13H16N2O3 MolecularWeight: 248.27774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C=CCN(CC1=CN=CC=C1)C(=O)CCC(=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/h2-4,7,9H,1,5-6,8,10H2,(H,17,18)