2-[8-oxidanyl-3-oxidanylidene-2-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-2-benzazepin-4-yl]ethanoate

Systemtic Name: 2-[8-oxidanyl-3-oxidanylidene-2-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-2-benzazepin-4-yl]ethanoate Openeye Name: 2-[8-hydroxy-3-oxo-2-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-2-benzazepin-4-yl]acetate CAS Name: 2-[8-hydroxy-3-oxo-2-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-2-benzazepin-4-yl]acetate IUPAC Name: 2-[8-hydroxy-3-oxo-2-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-2-benzazepin-4-yl]acetate Traditional Name: 2-[8-hydroxy-3-keto-2-[4-(trifluoromethyl)benzyl]-4,5-dihydro-1H-2-benzazepin-4-yl]acetate Formula: C20H17F3NO4- MolecularWeight: 392.34849

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(CC2=C1C=CC(=C2)O)CC3=CC=C(C=C3)C(F)(F)F)CC(=O)[O-]

Isomeric SMILES

C1C(C(=O)N(CC2=C1C=CC(=C2)O)CC3=CC=C(C=C3)C(F)(F)F)CC(=O)[O-]

InChI

InChI=1S/C20H18F3NO4/c21-20(22,23)16-4-1-12(2-5-16)10-24-11-15-8-17(25)6-3-13(15)7-14(19(24)28)9-18(26)27/h1-6,8,14,25H,7,9-11H2,(H,26,27)/p-1