diethyl-[2-[8-fluoranyl-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-oxidanylidene-ethyl]azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: diethyl-[2-[8-fluoranyl-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-oxidanylidene-ethyl]azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: diethyl-[2-[8-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-oxo-ethyl]ammonium; 2-hydroxy-2-oxo-acetate CAS Name: diethyl-[2-[8-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-oxoethyl]ammonium; 2-hydroxy-2-oxoacetate IUPAC Name: diethyl-[2-[8-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-oxoethyl]azanium; 2-hydroxy-2-oxoacetate Traditional Name: diethyl-[2-[8-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-keto-ethyl]ammonium binoxalate Formula: C24H28F2N2O5 MolecularWeight: 462.486326

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC(=O)N1CCCC(C2=C1C=C(C=C2)F)C3=CC=C(C=C3)F.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC[NH+](CC)CC(=O)N1CCCC(C2=C1C=C(C=C2)F)C3=CC=C(C=C3)F.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C22H26F2N2O.C2H2O4/c1-3-25(4-2)15-22(27)26-13-5-6-19(16-7-9-17(23)10-8-16)20-12-11-18(24)14-21(20)26;3-1(4)2(5)6/h7-12,14,19H,3-6,13,15H2,1-2H3;(H,3,4)(H,5,6)