6-[3-[4-[(4-tert-butylphenyl)methylamino]butylamino]propylamino]-6-oxidanylidene-hexanoic acid hydrobromide

Systemtic Name: 6-[3-[4-[(4-tert-butylphenyl)methylamino]butylamino]propylamino]-6-oxidanylidene-hexanoic acid hydrobromide Openeye Name: 6-[3-[4-[(4-tert-butylphenyl)methylamino]butylamino]propylamino]-6-oxo-hexanoic acid hydrobromide CAS Name: 6-[3-[4-[(4-tert-butylphenyl)methylamino]butylamino]propylamino]-6-oxohexanoic acid hydrobromide IUPAC Name: 6-[3-[4-[(4-tert-butylphenyl)methylamino]butylamino]propylamino]-6-oxohexanoic acid hydrobromide Traditional Name: 6-[3-[4-[(4-tert-butylbenzyl)amino]butylamino]propylamino]-6-keto-hexanoic acid hydrobromide Formula: C24H42BrN3O3 MolecularWeight: 500.51258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CNCCCCNCCCNC(=O)CCCCC(=O)O.Br

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CNCCCCNCCCNC(=O)CCCCC(=O)O.Br

InChI

InChI=1S/C24H41N3O3.BrH/c1-24(2,3)21-13-11-20(12-14-21)19-26-16-7-6-15-25-17-8-18-27-22(28)9-4-5-10-23(29)30;/h11-14,25-26H,4-10,15-19H2,1-3H3,(H,27,28)(H,29,30);1H