methyl (3R)-2-[2-(2-chloranyl-6-fluoranyl-phenyl)carbonyloxyethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3R)-2-[2-(2-chloranyl-6-fluoranyl-phenyl)carbonyloxyethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[2-(2-chloro-6-fluoro-benzoyl)oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[2-[(2-chloro-6-fluorophenyl)-oxomethoxy]-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-(2-chloro-6-fluorobenzoyl)oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-(2-chloro-6-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=C3Cl)F

Isomeric SMILES

COC(=O)[C@H]1CC2=CC=CC=C2CN1C(=O)COC(=O)C3=C(C=CC=C3Cl)F

InChI

InChI=1S/C20H17ClFNO5/c1-27-19(25)16-9-12-5-2-3-6-13(12)10-23(16)17(24)11-28-20(26)18-14(21)7-4-8-15(18)22/h2-8,16H,9-11H2,1H3/t16-/m1/s1