methyl (3R)-2-[2-(5-chloranyl-2-fluoranyl-phenyl)carbonyloxyethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3R)-2-[2-(5-chloranyl-2-fluoranyl-phenyl)carbonyloxyethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[2-(5-chloro-2-fluoro-benzoyl)oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[2-[(5-chloro-2-fluorophenyl)-oxomethoxy]-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-(5-chloro-2-fluorobenzoyl)oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-(5-chloro-2-fluoro-benzoyl)oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C20H17ClFNO5 MolecularWeight: 405.804083

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2CN1C(=O)COC(=O)C3=C(C=CC(=C3)Cl)F

Isomeric SMILES

COC(=O)[C@H]1CC2=CC=CC=C2CN1C(=O)COC(=O)C3=C(C=CC(=C3)Cl)F

InChI

InChI=1S/C20H17ClFNO5/c1-27-20(26)17-8-12-4-2-3-5-13(12)10-23(17)18(24)11-28-19(25)15-9-14(21)6-7-16(15)22/h2-7,9,17H,8,10-11H2,1H3/t17-/m1/s1