2,2-dimethyl-1-[1-[(4-phenylmethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one

Systemtic Name: 2,2-dimethyl-1-[1-[(4-phenylmethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one Openeye Name: 1-[1-[(4-benzyloxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-2,2-dimethyl-propan-1-one CAS Name: 2,2-dimethyl-1-[1-[(4-phenylmethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-1-propanone IUPAC Name: 2,2-dimethyl-1-[1-[(4-phenylmethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one Traditional Name: 1-[1-(4-benzoxybenzyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2,2-dimethyl-propan-1-one Formula: C28H31NO2 MolecularWeight: 413.55124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1CCC2=CC=CC=C2C1CC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C(=O)N1CCC2=CC=CC=C2C1CC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C28H31NO2/c1-28(2,3)27(30)29-18-17-23-11-7-8-12-25(23)26(29)19-21-13-15-24(16-14-21)31-20-22-9-5-4-6-10-22/h4-16,26H,17-20H2,1-3H3