ethyl 4-[[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-ethyl-amino]methyl]benzoate

Systemtic Name: ethyl 4-[[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-ethyl-amino]methyl]benzoate Openeye Name: ethyl 4-[[(2-benzyloxy-5-bromo-phenyl)methyl-ethyl-amino]methyl]benzoate CAS Name: 4-[[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]methyl]benzoate Traditional Name: 4-[[(2-benzoxy-5-bromo-benzyl)-ethyl-amino]methyl]benzoic acid ethyl ester Formula: C26H28BrNO3 MolecularWeight: 482.40942

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(C=C1)C(=O)OCC)CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

Isomeric SMILES

CCN(CC1=CC=C(C=C1)C(=O)OCC)CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C26H28BrNO3/c1-3-28(17-20-10-12-22(13-11-20)26(29)30-4-2)18-23-16-24(27)14-15-25(23)31-19-21-8-6-5-7-9-21/h5-16H,3-4,17-19H2,1-2H3