2-[2-bromanyl-4-(butylaminomethyl)-6-methoxy-phenoxy]-N-(phenylmethyl)ethanamide hydrochloride

Systemtic Name: 2-[2-bromanyl-4-(butylaminomethyl)-6-methoxy-phenoxy]-N-(phenylmethyl)ethanamide hydrochloride Openeye Name: N-benzyl-2-[2-bromo-4-(butylaminomethyl)-6-methoxy-phenoxy]acetamide hydrochloride CAS Name: 2-[2-bromo-4-(butylaminomethyl)-6-methoxyphenoxy]-N-(phenylmethyl)acetamide hydrochloride IUPAC Name: N-benzyl-2-[2-bromo-4-(butylaminomethyl)-6-methoxyphenoxy]acetamide hydrochloride Traditional Name: N-benzyl-2-[2-bromo-4-(butylaminomethyl)-6-methoxy-phenoxy]acetamide hydrochloride Formula: C21H28BrClN2O3 MolecularWeight: 471.81562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC1=CC(=C(C(=C1)Br)OCC(=O)NCC2=CC=CC=C2)OC.Cl

Isomeric SMILES

CCCCNCC1=CC(=C(C(=C1)Br)OCC(=O)NCC2=CC=CC=C2)OC.Cl

InChI

InChI=1S/C21H27BrN2O3.ClH/c1-3-4-10-23-13-17-11-18(22)21(19(12-17)26-2)27-15-20(25)24-14-16-8-6-5-7-9-16;/h5-9,11-12,23H,3-4,10,13-15H2,1-2H3,(H,24,25);1H