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

Systemtic Name: methyl 2-[5-(trifluoromethyl)furan-2-yl]carbonyl-3,4-dihydro-1H-isoquinoline-5-carboxylate Openeye Name: methyl 2-[5-(trifluoromethyl)furan-2-carbonyl]-3,4-dihydro-1H-isoquinoline-5-carboxylate CAS Name: 2-[oxo-[5-(trifluoromethyl)-2-furanyl]methyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid methyl ester IUPAC Name: methyl 2-[5-(trifluoromethyl)furan-2-carbonyl]-3,4-dihydro-1H-isoquinoline-5-carboxylate Traditional Name: 2-[5-(trifluoromethyl)-2-furoyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid methyl ester Formula: C17H14F3NO4 MolecularWeight: 353.29257

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2CCN(CC2=CC=C1)C(=O)C3=CC=C(O3)C(F)(F)F

Isomeric SMILES

COC(=O)C1=C2CCN(CC2=CC=C1)C(=O)C3=CC=C(O3)C(F)(F)F

InChI

InChI=1S/C17H14F3NO4/c1-24-16(23)12-4-2-3-10-9-21(8-7-11(10)12)15(22)13-5-6-14(25-13)17(18,19)20/h2-6H,7-9H2,1H3