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

Systemtic Name: N-[[3-bromanyl-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]heptan-1-amine Openeye Name: N-[[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]heptan-1-amine CAS Name: N-[[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-heptanamine IUPAC Name: N-[[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]heptan-1-amine Traditional Name: [3-bromo-5-ethoxy-4-(4-fluorobenzyl)oxy-benzyl]-heptyl-amine Formula: C23H31BrFNO2 MolecularWeight: 452.400143

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNCC1=CC(=C(C(=C1)Br)OCC2=CC=C(C=C2)F)OCC

Isomeric SMILES

CCCCCCCNCC1=CC(=C(C(=C1)Br)OCC2=CC=C(C=C2)F)OCC

InChI

InChI=1S/C23H31BrFNO2/c1-3-5-6-7-8-13-26-16-19-14-21(24)23(22(15-19)27-4-2)28-17-18-9-11-20(25)12-10-18/h9-12,14-15,26H,3-8,13,16-17H2,1-2H3