2-[2-(3,4-dimethoxyphenyl)ethyl-(trifluoromethylsulfonyl)amino]-3-methyl-butanoic acid

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)ethyl-(trifluoromethylsulfonyl)amino]-3-methyl-butanoic acid Openeye Name: 2-[2-(3,4-dimethoxyphenyl)ethyl-(trifluoromethylsulfonyl)amino]-3-methyl-butanoic acid CAS Name: 2-[2-(3,4-dimethoxyphenyl)ethyl-(trifluoromethylsulfonyl)amino]-3-methylbutanoic acid IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)ethyl-(trifluoromethylsulfonyl)amino]-3-methylbutanoic acid Traditional Name: 2-[homoveratryl(triflyl)amino]-3-methyl-butyric acid Formula: C16H22F3NO6S MolecularWeight: 413.40919

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)N(CCC1=CC(=C(C=C1)OC)OC)S(=O)(=O)C(F)(F)F

Isomeric SMILES

CC(C)C(C(=O)O)N(CCC1=CC(=C(C=C1)OC)OC)S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C16H22F3NO6S/c1-10(2)14(15(21)22)20(27(23,24)16(17,18)19)8-7-11-5-6-12(25-3)13(9-11)26-4/h5-6,9-10,14H,7-8H2,1-4H3,(H,21,22)