2-[2-(3,4-dimethoxyphenyl)ethyl-(trifluoromethylsulfonyl)amino]-2-phenyl-ethanoic acid

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)ethyl-(trifluoromethylsulfonyl)amino]-2-phenyl-ethanoic acid Openeye Name: 2-[2-(3,4-dimethoxyphenyl)ethyl-(trifluoromethylsulfonyl)amino]-2-phenyl-acetic acid CAS Name: 2-[2-(3,4-dimethoxyphenyl)ethyl-(trifluoromethylsulfonyl)amino]-2-phenylacetic acid IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)ethyl-(trifluoromethylsulfonyl)amino]-2-phenylacetic acid Traditional Name: 2-[homoveratryl(triflyl)amino]-2-phenyl-acetic acid Formula: C19H20F3NO6S MolecularWeight: 447.42541

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN(C(C2=CC=CC=C2)C(=O)O)S(=O)(=O)C(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN(C(C2=CC=CC=C2)C(=O)O)S(=O)(=O)C(F)(F)F)OC

InChI

InChI=1S/C19H20F3NO6S/c1-28-15-9-8-13(12-16(15)29-2)10-11-23(30(26,27)19(20,21)22)17(18(24)25)14-6-4-3-5-7-14/h3-9,12,17H,10-11H2,1-2H3,(H,24,25)