4-[(4S)-6,7-dimethoxy-4-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl]butan-2-one

Systemtic Name: 4-[(4S)-6,7-dimethoxy-4-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl]butan-2-one Openeye Name: 4-[(4S)-4-hydroxy-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]butan-2-one CAS Name: 4-[(4S)-4-hydroxy-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-butanone IUPAC Name: 4-[(4S)-4-hydroxy-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]butan-2-one Traditional Name: 4-[(4S)-4-hydroxy-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]butan-2-one Formula: C15H21NO4 MolecularWeight: 279.33154

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCN1CC(C2=CC(=C(C=C2C1)OC)OC)O

Isomeric SMILES

CC(=O)CCN1C[C@H](C2=CC(=C(C=C2C1)OC)OC)O

InChI

InChI=1S/C15H21NO4/c1-10(17)4-5-16-8-11-6-14(19-2)15(20-3)7-12(11)13(18)9-16/h6-7,13,18H,4-5,8-9H2,1-3H3/t13-/m1/s1