2-[6-[(2-oxidanyl-2-oxidanylidene-1-phenyl-ethyl)amino]hexylamino]-2-phenyl-ethanoic acid bromide

Systemtic Name: 2-[6-[(2-oxidanyl-2-oxidanylidene-1-phenyl-ethyl)amino]hexylamino]-2-phenyl-ethanoic acid bromide Openeye Name: 2-[6-[(2-hydroxy-2-oxo-1-phenyl-ethyl)amino]hexylamino]-2-phenyl-acetic acid bromide CAS Name: 2-[6-[(2-hydroxy-2-oxo-1-phenylethyl)amino]hexylamino]-2-phenylacetic acid bromide IUPAC Name: 2-[6-[(2-hydroxy-2-oxo-1-phenylethyl)amino]hexylamino]-2-phenylacetic acid bromide Traditional Name: 2-[6-[(2-hydroxy-2-keto-1-phenyl-ethyl)amino]hexylamino]-2-phenyl-acetic acid bromide Formula: C22H28BrN2O4- MolecularWeight: 464.37272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)O)NCCCCCCNC(C2=CC=CC=C2)C(=O)O.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)O)NCCCCCCNC(C2=CC=CC=C2)C(=O)O.[Br-]

InChI

InChI=1S/C22H28N2O4.BrH/c25-21(26)19(17-11-5-3-6-12-17)23-15-9-1-2-10-16-24-20(22(27)28)18-13-7-4-8-14-18;/h3-8,11-14,19-20,23-24H,1-2,9-10,15-16H2,(H,25,26)(H,27,28);1H/p-1