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

Systemtic Name: methyl (3R)-2-[2-(4-chloranyl-2-oxidanyl-phenyl)carbonyloxyethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[2-(4-chloro-2-hydroxy-benzoyl)oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[2-[(4-chloro-2-hydroxyphenyl)-oxomethoxy]-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-(4-chloro-2-hydroxybenzoyl)oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-(4-chloro-2-hydroxy-benzoyl)oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C20H18ClNO6 MolecularWeight: 403.81302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClNO6/c1-27-20(26)16-8-12-4-2-3-5-13(12)10-22(16)18(24)11-28-19(25)15-7-6-14(21)9-17(15)23/h2-7,9,16,23H,8,10-11H2,1H3/t16-/m1/s1