(4R)-8-[2-[6-(methylamino)pyridin-2-yl]ethoxy]-3-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethyl]-4,5-dihydro-1H-2-benzazepine-4-carboxylic acid

Systemtic Name: (4R)-8-[2-[6-(methylamino)pyridin-2-yl]ethoxy]-3-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethyl]-4,5-dihydro-1H-2-benzazepine-4-carboxylic acid Openeye Name: (4R)-8-[2-[6-(methylamino)-2-pyridyl]ethoxy]-3-oxo-2-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-2-benzazepine-4-carboxylic acid CAS Name: (4R)-8-[2-[6-(methylamino)-2-pyridinyl]ethoxy]-3-oxo-2-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-2-benzazepine-4-carboxylic acid IUPAC Name: (4R)-8-[2-[6-(methylamino)pyridin-2-yl]ethoxy]-3-oxo-2-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-2-benzazepine-4-carboxylic acid Traditional Name: (4R)-3-keto-8-[2-[6-(methylamino)-2-pyridyl]ethoxy]-2-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-2-benzazepine-4-carboxylic acid Formula: C21H22F3N3O4 MolecularWeight: 437.41229

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC=CC(=N1)CCOC2=CC3=C(CC(C(=O)N(C3)CC(F)(F)F)C(=O)O)C=C2

Isomeric SMILES

CNC1=CC=CC(=N1)CCOC2=CC3=C(C[C@H](C(=O)N(C3)CC(F)(F)F)C(=O)O)C=C2

InChI

InChI=1S/C21H22F3N3O4/c1-25-18-4-2-3-15(26-18)7-8-31-16-6-5-13-10-17(20(29)30)19(28)27(11-14(13)9-16)12-21(22,23)24/h2-6,9,17H,7-8,10-12H2,1H3,(H,25,26)(H,29,30)/t17-/m1/s1