2-[4-bromanyl-2-[(octylamino)methyl]phenoxy]-N-tert-butyl-ethanamide hydrochloride

Systemtic Name: 2-[4-bromanyl-2-[(octylamino)methyl]phenoxy]-N-tert-butyl-ethanamide hydrochloride Openeye Name: 2-[4-bromo-2-[(octylamino)methyl]phenoxy]-N-tert-butyl-acetamide hydrochloride CAS Name: 2-[4-bromo-2-[(octylamino)methyl]phenoxy]-N-tert-butylacetamide hydrochloride IUPAC Name: 2-[4-bromo-2-[(octylamino)methyl]phenoxy]-N-tert-butylacetamide hydrochloride Traditional Name: 2-[4-bromo-2-[(octylamino)methyl]phenoxy]-N-tert-butyl-acetamide hydrochloride Formula: C21H36BrClN2O2 MolecularWeight: 463.87974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNCC1=C(C=CC(=C1)Br)OCC(=O)NC(C)(C)C.Cl

Isomeric SMILES

CCCCCCCCNCC1=C(C=CC(=C1)Br)OCC(=O)NC(C)(C)C.Cl

InChI

InChI=1S/C21H35BrN2O2.ClH/c1-5-6-7-8-9-10-13-23-15-17-14-18(22)11-12-19(17)26-16-20(25)24-21(2,3)4;/h11-12,14,23H,5-10,13,15-16H2,1-4H3,(H,24,25);1H