methyl (2S,5S)-2-benzamido-6,6,6-tris(fluoranyl)-5-oxidanyl-hexanoate

Systemtic Name: methyl (2S,5S)-2-benzamido-6,6,6-tris(fluoranyl)-5-oxidanyl-hexanoate Openeye Name: methyl (2S,5S)-2-benzamido-6,6,6-trifluoro-5-hydroxy-hexanoate CAS Name: (2S,5S)-2-benzamido-6,6,6-trifluoro-5-hydroxyhexanoic acid methyl ester IUPAC Name: methyl (2S,5S)-2-benzamido-6,6,6-trifluoro-5-hydroxyhexanoate Traditional Name: (2S,5S)-2-benzamido-6,6,6-trifluoro-5-hydroxy-hexanoic acid methyl ester Formula: C14H16F3NO4 MolecularWeight: 319.27635

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC(C(F)(F)F)O)NC(=O)C1=CC=CC=C1

Isomeric SMILES

COC(=O)[C@H](CC[C@@H](C(F)(F)F)O)NC(=O)C1=CC=CC=C1

InChI

InChI=1S/C14H16F3NO4/c1-22-13(21)10(7-8-11(19)14(15,16)17)18-12(20)9-5-3-2-4-6-9/h2-6,10-11,19H,7-8H2,1H3,(H,18,20)/t10-,11-/m0/s1