(3R,4R)-4-(2-hydroxyethyl)-3-(hydroxymethyl)-7-methyl-3,4-dihydro-2H-isoquinolin-1-one

Systemtic Name: (3R,4R)-4-(2-hydroxyethyl)-3-(hydroxymethyl)-7-methyl-3,4-dihydro-2H-isoquinolin-1-one Openeye Name: (3R,4R)-4-(2-hydroxyethyl)-3-(hydroxymethyl)-7-methyl-3,4-dihydro-2H-isoquinolin-1-one CAS Name: (3R,4R)-4-(2-hydroxyethyl)-3-(hydroxymethyl)-7-methyl-3,4-dihydro-2H-isoquinolin-1-one IUPAC Name: (3R,4R)-4-(2-hydroxyethyl)-3-(hydroxymethyl)-7-methyl-3,4-dihydro-2H-isoquinolin-1-one Traditional Name: (3R,4R)-4-(2-hydroxyethyl)-7-methyl-3-methylol-3,4-dihydroisocarbostyril Formula: C13H17NO3 MolecularWeight: 235.27898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(C(NC2=O)CO)CCO

Isomeric SMILES

CC1=CC2=C(C=C1)[C@H]([C@@H](NC2=O)CO)CCO

InChI

InChI=1S/C13H17NO3/c1-8-2-3-9-10(4-5-15)12(7-16)14-13(17)11(9)6-8/h2-3,6,10,12,15-16H,4-5,7H2,1H3,(H,14,17)/t10-,12+/m1/s1