(3R,4R)-4-butyl-4-oxidanyl-3-phenethyl-2,3-dihydroisoquinolin-1-one

Systemtic Name: (3R,4R)-4-butyl-4-oxidanyl-3-phenethyl-2,3-dihydroisoquinolin-1-one Openeye Name: (3R,4R)-4-butyl-4-hydroxy-3-phenethyl-2,3-dihydroisoquinolin-1-one CAS Name: (3R,4R)-4-butyl-4-hydroxy-3-phenethyl-2,3-dihydroisoquinolin-1-one IUPAC Name: (3R,4R)-4-butyl-4-hydroxy-3-phenethyl-2,3-dihydroisoquinolin-1-one Traditional Name: (3R,4R)-4-butyl-4-hydroxy-3-phenethyl-2,3-dihydroisoquinolin-1-one Formula: C21H25NO2 MolecularWeight: 323.4287

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C(NC(=O)C2=CC=CC=C21)CCC3=CC=CC=C3)O

Isomeric SMILES

CCCC[C@@]1([C@H](NC(=O)C2=CC=CC=C21)CCC3=CC=CC=C3)O

InChI

InChI=1S/C21H25NO2/c1-2-3-15-21(24)18-12-8-7-11-17(18)20(23)22-19(21)14-13-16-9-5-4-6-10-16/h4-12,19,24H,2-3,13-15H2,1H3,(H,22,23)/t19-,21-/m1/s1