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

Systemtic Name: N-[(3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl]heptan-1-amine Openeye Name: N-[(4-benzyloxy-3-bromo-5-ethoxy-phenyl)methyl]heptan-1-amine CAS Name: N-[(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]-1-heptanamine IUPAC Name: N-[(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]heptan-1-amine Traditional Name: (4-benzoxy-3-bromo-5-ethoxy-benzyl)-heptyl-amine Formula: C23H32BrNO2 MolecularWeight: 434.40968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32BrNO2/c1-3-5-6-7-11-14-25-17-20-15-21(24)23(22(16-20)26-4-2)27-18-19-12-9-8-10-13-19/h8-10,12-13,15-16,25H,3-7,11,14,17-18H2,1-2H3