2-[[(E)-[5-(hydroxymethyl)-2-methyl-3-oxidanylidene-pyridin-4-ylidene]methyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[(E)-[5-(hydroxymethyl)-2-methyl-3-oxidanylidene-pyridin-4-ylidene]methyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[(E)-[5-(hydroxymethyl)-2-methyl-3-oxo-4-pyridylidene]methyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[(E)-[5-(hydroxymethyl)-2-methyl-3-oxo-4-pyridinylidene]methyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[(E)-[5-(hydroxymethyl)-2-methyl-3-oxopyridin-4-ylidene]methyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[(E)-(3-keto-2-methyl-5-methylol-4-pyridylidene)methyl]amino]-3-phenyl-propionic acid Formula: C17H18N2O4 MolecularWeight: 314.33582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=CNC(CC2=CC=CC=C2)C(=O)O)C1=O)CO

Isomeric SMILES

CC1=NC=C(/C(=C\NC(CC2=CC=CC=C2)C(=O)O)/C1=O)CO

InChI

InChI=1S/C17H18N2O4/c1-11-16(21)14(13(10-20)8-18-11)9-19-15(17(22)23)7-12-5-3-2-4-6-12/h2-6,8-9,15,19-20H,7,10H2,1H3,(H,22,23)/b14-9+