(2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-6-yl) 3,4-bis(chloranyl)benzoate

Systemtic Name: (2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-6-yl) 3,4-bis(chloranyl)benzoate Openeye Name: (2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-6-yl) 3,4-dichlorobenzoate CAS Name: 3,4-dichlorobenzoic acid (2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-6-yl) ester IUPAC Name: (2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-6-yl) 3,4-dichlorobenzoate Traditional Name: 3,4-dichlorobenzoic acid (2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-6-yl) ester Formula: C17H21Cl2NO2 MolecularWeight: 342.26014

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2CC(CCC2C1)OC(=O)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CN1CCC2CC(CCC2C1)OC(=O)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C17H21Cl2NO2/c1-20-7-6-11-8-14(4-2-13(11)10-20)22-17(21)12-3-5-15(18)16(19)9-12/h3,5,9,11,13-14H,2,4,6-8,10H2,1H3