2-[7-[(2-oxidanyl-2-oxidanylidene-1-phenyl-ethyl)amino]heptylamino]-2-phenyl-ethanoic acid bromide

Systemtic Name: 2-[7-[(2-oxidanyl-2-oxidanylidene-1-phenyl-ethyl)amino]heptylamino]-2-phenyl-ethanoic acid bromide Openeye Name: 2-[7-[(2-hydroxy-2-oxo-1-phenyl-ethyl)amino]heptylamino]-2-phenyl-acetic acid bromide CAS Name: 2-[7-[(2-hydroxy-2-oxo-1-phenylethyl)amino]heptylamino]-2-phenylacetic acid bromide IUPAC Name: 2-[7-[(2-hydroxy-2-oxo-1-phenylethyl)amino]heptylamino]-2-phenylacetic acid bromide Traditional Name: 2-[7-[(2-hydroxy-2-keto-1-phenyl-ethyl)amino]heptylamino]-2-phenyl-acetic acid bromide Formula: C23H30BrN2O4- MolecularWeight: 478.3993

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O4.BrH/c26-22(27)20(18-12-6-4-7-13-18)24-16-10-2-1-3-11-17-25-21(23(28)29)19-14-8-5-9-15-19;/h4-9,12-15,20-21,24-25H,1-3,10-11,16-17H2,(H,26,27)(H,28,29);1H/p-1