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

Systemtic Name: N-[[3-bromanyl-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]pentan-1-amine Openeye Name: N-[[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]pentan-1-amine CAS Name: N-[[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-pentanamine IUPAC Name: N-[[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]pentan-1-amine Traditional Name: amyl-[3-bromo-5-ethoxy-4-(4-fluorobenzyl)oxy-benzyl]amine Formula: C21H27BrFNO2 MolecularWeight: 424.346983

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNCC1=CC(=C(C(=C1)Br)OCC2=CC=C(C=C2)F)OCC

Isomeric SMILES

CCCCCNCC1=CC(=C(C(=C1)Br)OCC2=CC=C(C=C2)F)OCC

InChI

InChI=1S/C21H27BrFNO2/c1-3-5-6-11-24-14-17-12-19(22)21(20(13-17)25-4-2)26-15-16-7-9-18(23)10-8-16/h7-10,12-13,24H,3-6,11,14-15H2,1-2H3