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

Systemtic Name: methyl 2-[2-(trifluoromethyl)phenyl]carbonyl-3,4-dihydro-1H-isoquinoline-5-carboxylate Openeye Name: methyl 2-[2-(trifluoromethyl)benzoyl]-3,4-dihydro-1H-isoquinoline-5-carboxylate CAS Name: 2-[oxo-[2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(trifluoromethyl)benzoyl]-3,4-dihydro-1H-isoquinoline-5-carboxylate Traditional Name: 2-[2-(trifluoromethyl)benzoyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid methyl ester Formula: C19H16F3NO3 MolecularWeight: 363.33045

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2CCN(CC2=CC=C1)C(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

COC(=O)C1=C2CCN(CC2=CC=C1)C(=O)C3=CC=CC=C3C(F)(F)F

InChI

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