(3S,8aR)-2,3-dimethyl-8a-[(4-phenylmethoxyphenyl)methyl]-4,6-dihydro-3H-isoquinolin-1-one

Systemtic Name: (3S,8aR)-2,3-dimethyl-8a-[(4-phenylmethoxyphenyl)methyl]-4,6-dihydro-3H-isoquinolin-1-one Openeye Name: (3S,8aR)-8a-[(4-benzyloxyphenyl)methyl]-2,3-dimethyl-4,6-dihydro-3H-isoquinolin-1-one CAS Name: (3S,8aR)-2,3-dimethyl-8a-[(4-phenylmethoxyphenyl)methyl]-4,6-dihydro-3H-isoquinolin-1-one IUPAC Name: (3S,8aR)-2,3-dimethyl-8a-[(4-phenylmethoxyphenyl)methyl]-4,6-dihydro-3H-isoquinolin-1-one Traditional Name: (3S,8aR)-8a-(4-benzoxybenzyl)-2,3-dimethyl-4,6-dihydro-3H-isoquinolin-1-one Formula: C25H27NO2 MolecularWeight: 373.48738

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CCC=CC2(C(=O)N1C)CC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

C[C@H]1CC2=CCC=C[C@]2(C(=O)N1C)CC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H27NO2/c1-19-16-22-10-6-7-15-25(22,24(27)26(19)2)17-20-11-13-23(14-12-20)28-18-21-8-4-3-5-9-21/h3-5,7-15,19H,6,16-18H2,1-2H3/t19-,25-/m0/s1