N-[(3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl]octan-1-amine hydrochloride

Systemtic Name: N-[(3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl]octan-1-amine hydrochloride Openeye Name: N-[(4-benzyloxy-3-bromo-5-ethoxy-phenyl)methyl]octan-1-amine hydrochloride CAS Name: N-[(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]-1-octanamine hydrochloride IUPAC Name: N-[(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]octan-1-amine hydrochloride Traditional Name: (4-benzoxy-3-bromo-5-ethoxy-benzyl)-octyl-amine hydrochloride Formula: C24H35BrClNO2 MolecularWeight: 484.8972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNCC1=CC(=C(C(=C1)Br)OCC2=CC=CC=C2)OCC.Cl

Isomeric SMILES

CCCCCCCCNCC1=CC(=C(C(=C1)Br)OCC2=CC=CC=C2)OCC.Cl

InChI

InChI=1S/C24H34BrNO2.ClH/c1-3-5-6-7-8-12-15-26-18-21-16-22(25)24(23(17-21)27-4-2)28-19-20-13-10-9-11-14-20;/h9-11,13-14,16-17,26H,3-8,12,15,18-19H2,1-2H3;1H