2-[[5-(2-carboxyethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[5-(2-carboxyethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[5-(2-carboxyethyl)-3-hydroxy-2-methyl-4-pyridyl]methylamino]-3-phenyl-propanoic acid CAS Name: 2-[[5-(2-carboxyethyl)-3-hydroxy-2-methyl-4-pyridinyl]methylamino]-3-phenylpropanoic acid IUPAC Name: 2-[[5-(2-carboxyethyl)-3-hydroxy-2-methylpyridin-4-yl]methylamino]-3-phenylpropanoic acid Traditional Name: 2-[[5-(2-carboxyethyl)-3-hydroxy-2-methyl-4-pyridyl]methylamino]-3-phenyl-propionic acid Formula: C19H22N2O5 MolecularWeight: 358.38838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CNC(CC2=CC=CC=C2)C(=O)O)CCC(=O)O

Isomeric SMILES

CC1=NC=C(C(=C1O)CNC(CC2=CC=CC=C2)C(=O)O)CCC(=O)O

InChI

InChI=1S/C19H22N2O5/c1-12-18(24)15(14(10-20-12)7-8-17(22)23)11-21-16(19(25)26)9-13-5-3-2-4-6-13/h2-6,10,16,21,24H,7-9,11H2,1H3,(H,22,23)(H,25,26)