(2S)-2-(4-chloranyl-2-methyl-phenoxy)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one

Systemtic Name: (2S)-2-(4-chloranyl-2-methyl-phenoxy)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Openeye Name: (2S)-2-(4-chloro-2-methyl-phenoxy)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one CAS Name: (2S)-2-(4-chloro-2-methylphenoxy)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-propanone IUPAC Name: (2S)-2-(4-chloro-2-methylphenoxy)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Traditional Name: (2S)-2-(4-chloro-2-methyl-phenoxy)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Formula: C21H24ClNO4 MolecularWeight: 389.87256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OC(C)C(=O)N2CCC3=CC(=C(C=C3C2)OC)OC

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)O[C@@H](C)C(=O)N2CCC3=CC(=C(C=C3C2)OC)OC

InChI

InChI=1S/C21H24ClNO4/c1-13-9-17(22)5-6-18(13)27-14(2)21(24)23-8-7-15-10-19(25-3)20(26-4)11-16(15)12-23/h5-6,9-11,14H,7-8,12H2,1-4H3/t14-/m0/s1