2-[(3R)-3-oxidanyl-3-phenyl-propyl]-1,4,4a,5,8,8a-hexahydroisoquinolin-3-one

Systemtic Name: 2-[(3R)-3-oxidanyl-3-phenyl-propyl]-1,4,4a,5,8,8a-hexahydroisoquinolin-3-one Openeye Name: 2-[(3R)-3-hydroxy-3-phenyl-propyl]-1,4,4a,5,8,8a-hexahydroisoquinolin-3-one CAS Name: 2-[(3R)-3-hydroxy-3-phenylpropyl]-1,4,4a,5,8,8a-hexahydroisoquinolin-3-one IUPAC Name: 2-[(3R)-3-hydroxy-3-phenylpropyl]-1,4,4a,5,8,8a-hexahydroisoquinolin-3-one Traditional Name: 2-[(3R)-3-hydroxy-3-phenyl-propyl]-1,4,4a,5,8,8a-hexahydroisoquinolin-3-one Formula: C18H23NO2 MolecularWeight: 285.38072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC2C1CC(=O)N(C2)CCC(C3=CC=CC=C3)O

Isomeric SMILES

C1C=CCC2C1CC(=O)N(C2)CC[C@H](C3=CC=CC=C3)O

InChI

InChI=1S/C18H23NO2/c20-17(14-6-2-1-3-7-14)10-11-19-13-16-9-5-4-8-15(16)12-18(19)21/h1-7,15-17,20H,8-13H2/t15?,16?,17-/m1/s1