ethyl (2S)-2-[[(1R)-2-oxidanyl-1-phenyl-ethyl]amino]-2-(trifluoromethyl)pent-4-enoate

Systemtic Name: ethyl (2S)-2-[[(1R)-2-oxidanyl-1-phenyl-ethyl]amino]-2-(trifluoromethyl)pent-4-enoate Openeye Name: ethyl (2S)-2-[[(1R)-2-hydroxy-1-phenyl-ethyl]amino]-2-(trifluoromethyl)pent-4-enoate CAS Name: (2S)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-(trifluoromethyl)-4-pentenoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-(trifluoromethyl)pent-4-enoate Traditional Name: (2S)-2-[[(1R)-2-hydroxy-1-phenyl-ethyl]amino]-2-(trifluoromethyl)pent-4-enoic acid ethyl ester Formula: C16H20F3NO3 MolecularWeight: 331.33011

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC=C)(C(F)(F)F)NC(CO)C1=CC=CC=C1

Isomeric SMILES

CCOC(=O)[C@@](CC=C)(C(F)(F)F)N[C@@H](CO)C1=CC=CC=C1

InChI

InChI=1S/C16H20F3NO3/c1-3-10-15(16(17,18)19,14(22)23-4-2)20-13(11-21)12-8-6-5-7-9-12/h3,5-9,13,20-21H,1,4,10-11H2,2H3/t13-,15-/m0/s1