(2S,4R)-N-[(5-methylfuran-2-yl)methyl]-4-phenethyl-2-(trifluoromethyl)oxepane-2-carboxamide

Systemtic Name: (2S,4R)-N-[(5-methylfuran-2-yl)methyl]-4-phenethyl-2-(trifluoromethyl)oxepane-2-carboxamide Openeye Name: (2S,4R)-N-[(5-methyl-2-furyl)methyl]-4-phenethyl-2-(trifluoromethyl)oxepane-2-carboxamide CAS Name: (2S,4R)-N-[(5-methyl-2-furanyl)methyl]-4-phenethyl-2-(trifluoromethyl)-2-oxepanecarboxamide IUPAC Name: (2S,4R)-N-[(5-methylfuran-2-yl)methyl]-4-phenethyl-2-(trifluoromethyl)oxepane-2-carboxamide Traditional Name: (2S,4R)-N-[(5-methyl-2-furyl)methyl]-4-phenethyl-2-(trifluoromethyl)oxepane-2-carboxamide Formula: C22H26F3NO3 MolecularWeight: 409.44195

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CNC(=O)C2(CC(CCCO2)CCC3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

CC1=CC=C(O1)CNC(=O)[C@@]2(C[C@@H](CCCO2)CCC3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C22H26F3NO3/c1-16-9-12-19(29-16)15-26-20(27)21(22(23,24)25)14-18(8-5-13-28-21)11-10-17-6-3-2-4-7-17/h2-4,6-7,9,12,18H,5,8,10-11,13-15H2,1H3,(H,26,27)/t18-,21-/m0/s1