methyl 2-[[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methylamino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridyl]methylamino]-3-phenyl-propanoate CAS Name: 2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylamino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methylamino]-3-phenylpropanoate Traditional Name: 2-[(3-hydroxy-2-methyl-5-methylol-4-pyridyl)methylamino]-3-phenyl-propionic acid methyl ester Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O4/c1-12-17(22)15(14(11-21)9-19-12)10-20-16(18(23)24-2)8-13-6-4-3-5-7-13/h3-7,9,16,20-22H,8,10-11H2,1-2H3