1-[(3,4-dichlorophenyl)methyl]-6-methoxy-7-(trifluoromethylsulfonyloxy)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid

Systemtic Name: 1-[(3,4-dichlorophenyl)methyl]-6-methoxy-7-(trifluoromethylsulfonyloxy)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Openeye Name: 1-[(3,4-dichlorophenyl)methyl]-6-methoxy-7-(trifluoromethylsulfonyloxy)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid CAS Name: 1-[(3,4-dichlorophenyl)methyl]-6-methoxy-7-(trifluoromethylsulfonyloxy)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid IUPAC Name: 1-[(3,4-dichlorophenyl)methyl]-6-methoxy-7-(trifluoromethylsulfonyloxy)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Traditional Name: 1-(3,4-dichlorobenzyl)-6-methoxy-7-triflyloxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Formula: C19H16Cl2F3NO6S MolecularWeight: 514.29965

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)O)CC3=CC(=C(C=C3)Cl)Cl)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)O)CC3=CC(=C(C=C3)Cl)Cl)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C19H16Cl2F3NO6S/c1-30-16-8-11-4-5-25(18(26)27)15(7-10-2-3-13(20)14(21)6-10)12(11)9-17(16)31-32(28,29)19(22,23)24/h2-3,6,8-9,15H,4-5,7H2,1H3,(H,26,27)