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

Systemtic Name: methyl (3R)-2-[2-(3-fluoranyl-4-methoxy-phenyl)carbonyloxyethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[2-(3-fluoro-4-methoxy-benzoyl)oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[2-[(3-fluoro-4-methoxyphenyl)-oxomethoxy]-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-(3-fluoro-4-methoxybenzoyl)oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-(3-fluoro-4-methoxy-benzoyl)oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C21H20FNO6 MolecularWeight: 401.385003

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)N2CC3=CC=CC=C3CC2C(=O)OC)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)N2CC3=CC=CC=C3C[C@@H]2C(=O)OC)F

InChI

InChI=1S/C21H20FNO6/c1-27-18-8-7-14(9-16(18)22)20(25)29-12-19(24)23-11-15-6-4-3-5-13(15)10-17(23)21(26)28-2/h3-9,17H,10-12H2,1-2H3/t17-/m1/s1