(3S,4R)-2-ethyl-4-(hydroxymethyl)-3-propan-2-yl-3,4-dihydroisoquinolin-1-one

Systemtic Name: (3S,4R)-2-ethyl-4-(hydroxymethyl)-3-propan-2-yl-3,4-dihydroisoquinolin-1-one Openeye Name: (3S,4R)-2-ethyl-4-(hydroxymethyl)-3-isopropyl-3,4-dihydroisoquinolin-1-one CAS Name: (3S,4R)-2-ethyl-4-(hydroxymethyl)-3-propan-2-yl-3,4-dihydroisoquinolin-1-one IUPAC Name: (3S,4R)-2-ethyl-4-(hydroxymethyl)-3-propan-2-yl-3,4-dihydroisoquinolin-1-one Traditional Name: (3S,4R)-2-ethyl-3-isopropyl-4-methylol-3,4-dihydroisocarbostyril Formula: C15H21NO2 MolecularWeight: 247.33274

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(C(C2=CC=CC=C2C1=O)CO)C(C)C

Isomeric SMILES

CCN1[C@H]([C@@H](C2=CC=CC=C2C1=O)CO)C(C)C

InChI

InChI=1S/C15H21NO2/c1-4-16-14(10(2)3)13(9-17)11-7-5-6-8-12(11)15(16)18/h5-8,10,13-14,17H,4,9H2,1-3H3/t13-,14+/m1/s1