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

Systemtic Name: N-[(3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl]heptan-1-amine hydrochloride Openeye Name: N-[(4-benzyloxy-3-bromo-5-ethoxy-phenyl)methyl]heptan-1-amine hydrochloride CAS Name: N-[(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]-1-heptanamine hydrochloride IUPAC Name: N-[(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]heptan-1-amine hydrochloride Traditional Name: (4-benzoxy-3-bromo-5-ethoxy-benzyl)-heptyl-amine hydrochloride Formula: C23H33BrClNO2 MolecularWeight: 470.87062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNCC1=CC(=C(C(=C1)Br)OCC2=CC=CC=C2)OCC.Cl

Isomeric SMILES

CCCCCCCNCC1=CC(=C(C(=C1)Br)OCC2=CC=CC=C2)OCC.Cl

InChI

InChI=1S/C23H32BrNO2.ClH/c1-3-5-6-7-11-14-25-17-20-15-21(24)23(22(16-20)26-4-2)27-18-19-12-9-8-10-13-19;/h8-10,12-13,15-16,25H,3-7,11,14,17-18H2,1-2H3;1H