2-[[7-chloranyl-3-oxidanylidene-2-propan-2-yl-4-[[3-(trifluoromethyl)phenyl]methyl]-5H-1,4-benzoxazepin-5-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[7-chloranyl-3-oxidanylidene-2-propan-2-yl-4-[[3-(trifluoromethyl)phenyl]methyl]-5H-1,4-benzoxazepin-5-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[7-chloro-2-isopropyl-3-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]-5H-1,4-benzoxazepine-5-carbonyl]amino]acetic acid CAS Name: 2-[[[7-chloro-3-oxo-2-propan-2-yl-4-[[3-(trifluoromethyl)phenyl]methyl]-5H-1,4-benzoxazepin-5-yl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[7-chloro-3-oxo-2-propan-2-yl-4-[[3-(trifluoromethyl)phenyl]methyl]-5H-1,4-benzoxazepine-5-carbonyl]amino]acetic acid Traditional Name: 2-[[7-chloro-2-isopropyl-3-keto-4-[3-(trifluoromethyl)benzyl]-5H-1,4-benzoxazepine-5-carbonyl]amino]acetic acid Formula: C23H22ClF3N2O5 MolecularWeight: 498.87939

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C(C2=C(O1)C=CC(=C2)Cl)C(=O)NCC(=O)O)CC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CC(C)C1C(=O)N(C(C2=C(O1)C=CC(=C2)Cl)C(=O)NCC(=O)O)CC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C23H22ClF3N2O5/c1-12(2)20-22(33)29(11-13-4-3-5-14(8-13)23(25,26)27)19(21(32)28-10-18(30)31)16-9-15(24)6-7-17(16)34-20/h3-9,12,19-20H,10-11H2,1-2H3,(H,28,32)(H,30,31)