dimethyl (2S,3S)-2-oxidanyl-3-phenyl-3-phenylazanyl-2-(trifluoromethyl)butanedioate

Systemtic Name: dimethyl (2S,3S)-2-oxidanyl-3-phenyl-3-phenylazanyl-2-(trifluoromethyl)butanedioate Openeye Name: dimethyl (2S,3S)-2-anilino-3-hydroxy-2-phenyl-3-(trifluoromethyl)butanedioate CAS Name: (2S,3S)-2-anilino-3-hydroxy-2-phenyl-3-(trifluoromethyl)butanedioic acid dimethyl ester IUPAC Name: dimethyl (2S,3S)-2-anilino-3-hydroxy-2-phenyl-3-(trifluoromethyl)butanedioate Traditional Name: (2S,3S)-2-anilino-3-hydroxy-2-phenyl-3-(trifluoromethyl)succinic acid dimethyl ester Formula: C19H18F3NO5 MolecularWeight: 397.34513

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)(C(C(=O)OC)(C(F)(F)F)O)NC2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@](C1=CC=CC=C1)([C@](C(=O)OC)(C(F)(F)F)O)NC2=CC=CC=C2

InChI

InChI=1S/C19H18F3NO5/c1-27-15(24)17(13-9-5-3-6-10-13,23-14-11-7-4-8-12-14)18(26,16(25)28-2)19(20,21)22/h3-12,23,26H,1-2H3/t17-,18-/m1/s1