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

Systemtic Name: methyl (3R)-2-[2-(3-fluoranyl-4-methyl-phenyl)carbonyloxyethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[2-(3-fluoro-4-methyl-benzoyl)oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[2-[(3-fluoro-4-methylphenyl)-oxomethoxy]-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-(3-fluoro-4-methylbenzoyl)oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-(3-fluoro-4-methyl-benzoyl)oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C21H20FNO5 MolecularWeight: 385.385603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)N2CC3=CC=CC=C3CC2C(=O)OC)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)N2CC3=CC=CC=C3C[C@@H]2C(=O)OC)F

InChI

InChI=1S/C21H20FNO5/c1-13-7-8-15(9-17(13)22)20(25)28-12-19(24)23-11-16-6-4-3-5-14(16)10-18(23)21(26)27-2/h3-9,18H,10-12H2,1-2H3/t18-/m1/s1