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

Systemtic Name: methyl 2-[2-[4-(trifluoromethyl)phenyl]ethanoyl]-3,4-dihydro-1H-isoquinoline-5-carboxylate Openeye Name: methyl 2-[2-[4-(trifluoromethyl)phenyl]acetyl]-3,4-dihydro-1H-isoquinoline-5-carboxylate CAS Name: 2-[1-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-[4-(trifluoromethyl)phenyl]acetyl]-3,4-dihydro-1H-isoquinoline-5-carboxylate Traditional Name: 2-[2-[4-(trifluoromethyl)phenyl]acetyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid methyl ester Formula: C20H18F3NO3 MolecularWeight: 377.35703

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2CCN(CC2=CC=C1)C(=O)CC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

COC(=O)C1=C2CCN(CC2=CC=C1)C(=O)CC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H18F3NO3/c1-27-19(26)17-4-2-3-14-12-24(10-9-16(14)17)18(25)11-13-5-7-15(8-6-13)20(21,22)23/h2-8H,9-12H2,1H3