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

Systemtic Name: N-[[3-bromanyl-4-[(4-fluorophenyl)methoxy]-5-methoxy-phenyl]methyl]cyclohexanamine hydrochloride Openeye Name: N-[[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxy-phenyl]methyl]cyclohexanamine hydrochloride CAS Name: N-[[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]cyclohexanamine hydrochloride IUPAC Name: N-[[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]cyclohexanamine hydrochloride Traditional Name: [3-bromo-4-(4-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=C(C=C3)F.Cl

Isomeric SMILES

COC1=C(C(=CC(=C1)CNC2CCCCC2)Br)OCC3=CC=C(C=C3)F.Cl

InChI

InChI=1S/C21H25BrFNO2.ClH/c1-25-20-12-16(13-24-18-5-3-2-4-6-18)11-19(22)21(20)26-14-15-7-9-17(23)10-8-15;/h7-12,18,24H,2-6,13-14H2,1H3;1H