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

Systemtic Name: 4-(4-chloranyl-3-methyl-phenoxy)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one Openeye Name: 4-(4-chloro-3-methyl-phenoxy)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one CAS Name: 4-(4-chloro-3-methylphenoxy)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-butanone IUPAC Name: 4-(4-chloro-3-methylphenoxy)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one Traditional Name: 4-(4-chloro-3-methyl-phenoxy)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one Formula: C22H26ClNO4 MolecularWeight: 403.89914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClNO4/c1-15-11-18(6-7-19(15)23)28-10-4-5-22(25)24-9-8-16-12-20(26-2)21(27-3)13-17(16)14-24/h6-7,11-13H,4-5,8-10,14H2,1-3H3