[4-(hydroxymethyl)-6-methyl-5-oxidanyl-pyridin-3-yl]methyl 4-azanylbutanoate

Systemtic Name: [4-(hydroxymethyl)-6-methyl-5-oxidanyl-pyridin-3-yl]methyl 4-azanylbutanoate Openeye Name: [5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridyl]methyl 4-aminobutanoate CAS Name: 4-aminobutanoic acid [5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyl ester IUPAC Name: [5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methyl 4-aminobutanoate Traditional Name: 4-aminobutyric acid (5-hydroxy-6-methyl-4-methylol-3-pyridyl)methyl ester Formula: C12H18N2O4 MolecularWeight: 254.28232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CO)COC(=O)CCCN

Isomeric SMILES

CC1=NC=C(C(=C1O)CO)COC(=O)CCCN

InChI

InChI=1S/C12H18N2O4/c1-8-12(17)10(6-15)9(5-14-8)7-18-11(16)3-2-4-13/h5,15,17H,2-4,6-7,13H2,1H3