methyl 2-[4-(trifluoromethyloxy)phenyl]carbonyl-3,4-dihydro-1H-isoquinoline-7-carboxylate

Systemtic Name: methyl 2-[4-(trifluoromethyloxy)phenyl]carbonyl-3,4-dihydro-1H-isoquinoline-7-carboxylate Openeye Name: methyl 2-[4-(trifluoromethoxy)benzoyl]-3,4-dihydro-1H-isoquinoline-7-carboxylate CAS Name: 2-[oxo-[4-(trifluoromethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-(trifluoromethoxy)benzoyl]-3,4-dihydro-1H-isoquinoline-7-carboxylate Traditional Name: 2-[4-(trifluoromethoxy)benzoyl]-3,4-dihydro-1H-isoquinoline-7-carboxylic acid methyl ester Formula: C19H16F3NO4 MolecularWeight: 379.32985

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(CCN(C2)C(=O)C3=CC=C(C=C3)OC(F)(F)F)C=C1

Isomeric SMILES

COC(=O)C1=CC2=C(CCN(C2)C(=O)C3=CC=C(C=C3)OC(F)(F)F)C=C1

InChI

InChI=1S/C19H16F3NO4/c1-26-18(25)14-3-2-12-8-9-23(11-15(12)10-14)17(24)13-4-6-16(7-5-13)27-19(20,21)22/h2-7,10H,8-9,11H2,1H3