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

Systemtic Name: methyl 2-[4-(trifluoromethyl)phenyl]carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl 2-[4-(trifluoromethyl)benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-[oxo-[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-(trifluoromethyl)benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-[4-(trifluoromethyl)benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C19H16F3NO3 MolecularWeight: 363.33045

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16F3NO3/c1-26-18(25)16-10-13-4-2-3-5-14(13)11-23(16)17(24)12-6-8-15(9-7-12)19(20,21)22/h2-9,16H,10-11H2,1H3