2-[5-[(2-oxidanyl-2-oxidanylidene-1-phenyl-ethyl)amino]pentylamino]-2-phenyl-ethanoic acid bromide

Systemtic Name: 2-[5-[(2-oxidanyl-2-oxidanylidene-1-phenyl-ethyl)amino]pentylamino]-2-phenyl-ethanoic acid bromide Openeye Name: 2-[5-[(2-hydroxy-2-oxo-1-phenyl-ethyl)amino]pentylamino]-2-phenyl-acetic acid bromide CAS Name: 2-[5-[(2-hydroxy-2-oxo-1-phenylethyl)amino]pentylamino]-2-phenylacetic acid bromide IUPAC Name: 2-[5-[(2-hydroxy-2-oxo-1-phenylethyl)amino]pentylamino]-2-phenylacetic acid bromide Traditional Name: 2-[5-[(2-hydroxy-2-keto-1-phenyl-ethyl)amino]pentylamino]-2-phenyl-acetic acid bromide Formula: C21H26BrN2O4- MolecularWeight: 450.34614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4.BrH/c24-20(25)18(16-10-4-1-5-11-16)22-14-8-3-9-15-23-19(21(26)27)17-12-6-2-7-13-17;/h1-2,4-7,10-13,18-19,22-23H,3,8-9,14-15H2,(H,24,25)(H,26,27);1H/p-1