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

Systemtic Name: methyl (3R)-2-[2-(2-chloranyl-6-fluoranyl-phenyl)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[2-(2-chloro-6-fluoro-phenyl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[2-(2-chloro-6-fluorophenyl)-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-(2-chloro-6-fluorophenyl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-(2-chloro-6-fluoro-phenyl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C19H17ClFNO3 MolecularWeight: 361.794583

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2CN1C(=O)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

COC(=O)[C@H]1CC2=CC=CC=C2CN1C(=O)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C19H17ClFNO3/c1-25-19(24)17-9-12-5-2-3-6-13(12)11-22(17)18(23)10-14-15(20)7-4-8-16(14)21/h2-8,17H,9-11H2,1H3/t17-/m1/s1