N-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl]heptan-1-amine

Systemtic Name: N-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl]heptan-1-amine Openeye Name: N-[(2-benzyloxy-5-bromo-phenyl)methyl]heptan-1-amine CAS Name: N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-1-heptanamine IUPAC Name: N-[(5-bromo-2-phenylmethoxyphenyl)methyl]heptan-1-amine Traditional Name: (2-benzoxy-5-bromo-benzyl)-heptyl-amine Formula: C21H28BrNO MolecularWeight: 390.35712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28BrNO/c1-2-3-4-5-9-14-23-16-19-15-20(22)12-13-21(19)24-17-18-10-7-6-8-11-18/h6-8,10-13,15,23H,2-5,9,14,16-17H2,1H3