dimethyl (2S)-2-[[4-oxidanyl-2-[[2,2,2-tris(fluoranyl)ethylamino]methyl]phenyl]methyl]butanedioate

Systemtic Name: dimethyl (2S)-2-[[4-oxidanyl-2-[[2,2,2-tris(fluoranyl)ethylamino]methyl]phenyl]methyl]butanedioate Openeye Name: dimethyl (2S)-2-[[4-hydroxy-2-[(2,2,2-trifluoroethylamino)methyl]phenyl]methyl]butanedioate CAS Name: (2S)-2-[[4-hydroxy-2-[(2,2,2-trifluoroethylamino)methyl]phenyl]methyl]butanedioic acid dimethyl ester IUPAC Name: dimethyl (2S)-2-[[4-hydroxy-2-[(2,2,2-trifluoroethylamino)methyl]phenyl]methyl]butanedioate Traditional Name: (2S)-2-[4-hydroxy-2-[(2,2,2-trifluoroethylamino)methyl]benzyl]succinic acid dimethyl ester Formula: C16H20F3NO5 MolecularWeight: 363.32891

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CC1=C(C=C(C=C1)O)CNCC(F)(F)F)C(=O)OC

Isomeric SMILES

COC(=O)C[C@H](CC1=C(C=C(C=C1)O)CNCC(F)(F)F)C(=O)OC

InChI

InChI=1S/C16H20F3NO5/c1-24-14(22)7-11(15(23)25-2)5-10-3-4-13(21)6-12(10)8-20-9-16(17,18)19/h3-4,6,11,20-21H,5,7-9H2,1-2H3/t11-/m0/s1