2-[4-bromanyl-2-[(1-oxidanylbutan-2-ylamino)methyl]phenoxy]-N-tert-butyl-ethanamide hydrochloride

Systemtic Name: 2-[4-bromanyl-2-[(1-oxidanylbutan-2-ylamino)methyl]phenoxy]-N-tert-butyl-ethanamide hydrochloride Openeye Name: 2-[4-bromo-2-[[1-(hydroxymethyl)propylamino]methyl]phenoxy]-N-tert-butyl-acetamide hydrochloride CAS Name: 2-[4-bromo-2-[(1-hydroxybutan-2-ylamino)methyl]phenoxy]-N-tert-butylacetamide hydrochloride IUPAC Name: 2-[4-bromo-2-[(1-hydroxybutan-2-ylamino)methyl]phenoxy]-N-tert-butylacetamide hydrochloride Traditional Name: 2-[4-bromo-2-[(1-methylolpropylamino)methyl]phenoxy]-N-tert-butyl-acetamide hydrochloride Formula: C17H28BrClN2O3 MolecularWeight: 423.77282

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NCC1=C(C=CC(=C1)Br)OCC(=O)NC(C)(C)C.Cl

Isomeric SMILES

CCC(CO)NCC1=C(C=CC(=C1)Br)OCC(=O)NC(C)(C)C.Cl

InChI

InChI=1S/C17H27BrN2O3.ClH/c1-5-14(10-21)19-9-12-8-13(18)6-7-15(12)23-11-16(22)20-17(2,3)4;/h6-8,14,19,21H,5,9-11H2,1-4H3,(H,20,22);1H