N-[[3-bromanyl-4-[(2-fluorophenyl)methoxy]-5-methoxy-phenyl]methyl]cyclohexanamine hydrochloride

Systemtic Name: N-[[3-bromanyl-4-[(2-fluorophenyl)methoxy]-5-methoxy-phenyl]methyl]cyclohexanamine hydrochloride Openeye Name: N-[[3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxy-phenyl]methyl]cyclohexanamine hydrochloride CAS Name: N-[[3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]cyclohexanamine hydrochloride IUPAC Name: N-[[3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]cyclohexanamine hydrochloride Traditional Name: [3-bromo-4-(2-fluorobenzyl)oxy-5-methoxy-benzyl]-cyclohexyl-amine hydrochloride Formula: C21H26BrClFNO2 MolecularWeight: 458.792043

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNC2CCCCC2)Br)OCC3=CC=CC=C3F.Cl

Isomeric SMILES

COC1=C(C(=CC(=C1)CNC2CCCCC2)Br)OCC3=CC=CC=C3F.Cl

InChI

InChI=1S/C21H25BrFNO2.ClH/c1-25-20-12-15(13-24-17-8-3-2-4-9-17)11-18(22)21(20)26-14-16-7-5-6-10-19(16)23;/h5-7,10-12,17,24H,2-4,8-9,13-14H2,1H3;1H