N-[(5-bromanyl-2-heptoxy-phenyl)methyl]propan-1-amine

Systemtic Name: N-[(5-bromanyl-2-heptoxy-phenyl)methyl]propan-1-amine Openeye Name: N-[(5-bromo-2-heptoxy-phenyl)methyl]propan-1-amine CAS Name: N-[(5-bromo-2-heptoxyphenyl)methyl]-1-propanamine IUPAC Name: N-[(5-bromo-2-heptoxyphenyl)methyl]propan-1-amine Traditional Name: (5-bromo-2-heptoxy-benzyl)-propyl-amine Formula: C17H28BrNO MolecularWeight: 342.31432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=C(C=C1)Br)CNCCC

Isomeric SMILES

CCCCCCCOC1=C(C=C(C=C1)Br)CNCCC

InChI

InChI=1S/C17H28BrNO/c1-3-5-6-7-8-12-20-17-10-9-16(18)13-15(17)14-19-11-4-2/h9-10,13,19H,3-8,11-12,14H2,1-2H3