methyl 2-[4,4,4-tris(fluoranyl)-3-methyl-3-oxidanyl-butanoyl]-3,4-dihydro-1H-isoquinoline-5-carboxylate

Systemtic Name: methyl 2-[4,4,4-tris(fluoranyl)-3-methyl-3-oxidanyl-butanoyl]-3,4-dihydro-1H-isoquinoline-5-carboxylate Openeye Name: methyl 2-(4,4,4-trifluoro-3-hydroxy-3-methyl-butanoyl)-3,4-dihydro-1H-isoquinoline-5-carboxylate CAS Name: 2-(4,4,4-trifluoro-3-hydroxy-3-methyl-1-oxobutyl)-3,4-dihydro-1H-isoquinoline-5-carboxylic acid methyl ester IUPAC Name: methyl 2-(4,4,4-trifluoro-3-hydroxy-3-methylbutanoyl)-3,4-dihydro-1H-isoquinoline-5-carboxylate Traditional Name: 2-(4,4,4-trifluoro-3-hydroxy-3-methyl-butanoyl)-3,4-dihydro-1H-isoquinoline-5-carboxylic acid methyl ester Formula: C16H18F3NO4 MolecularWeight: 345.31363

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)N1CCC2=C(C=CC=C2C1)C(=O)OC)(C(F)(F)F)O

Isomeric SMILES

CC(CC(=O)N1CCC2=C(C=CC=C2C1)C(=O)OC)(C(F)(F)F)O

InChI

InChI=1S/C16H18F3NO4/c1-15(23,16(17,18)19)8-13(21)20-7-6-11-10(9-20)4-3-5-12(11)14(22)24-2/h3-5,23H,6-9H2,1-2H3