methyl 2-[3-fluoranyl-4-(trifluoromethyl)phenyl]carbonyl-3,4-dihydro-1H-isoquinoline-5-carboxylate

Systemtic Name: methyl 2-[3-fluoranyl-4-(trifluoromethyl)phenyl]carbonyl-3,4-dihydro-1H-isoquinoline-5-carboxylate Openeye Name: methyl 2-[3-fluoro-4-(trifluoromethyl)benzoyl]-3,4-dihydro-1H-isoquinoline-5-carboxylate CAS Name: 2-[[3-fluoro-4-(trifluoromethyl)phenyl]-oxomethyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid methyl ester IUPAC Name: methyl 2-[3-fluoro-4-(trifluoromethyl)benzoyl]-3,4-dihydro-1H-isoquinoline-5-carboxylate Traditional Name: 2-[3-fluoro-4-(trifluoromethyl)benzoyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid methyl ester Formula: C19H15F4NO3 MolecularWeight: 381.320913

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2CCN(CC2=CC=C1)C(=O)C3=CC(=C(C=C3)C(F)(F)F)F

Isomeric SMILES

COC(=O)C1=C2CCN(CC2=CC=C1)C(=O)C3=CC(=C(C=C3)C(F)(F)F)F

InChI

InChI=1S/C19H15F4NO3/c1-27-18(26)14-4-2-3-12-10-24(8-7-13(12)14)17(25)11-5-6-15(16(20)9-11)19(21,22)23/h2-6,9H,7-8,10H2,1H3