methyl 4-[1-(5-bromanyl-2-phenylmethoxy-phenyl)ethyl-ethyl-amino]benzoate

Systemtic Name: methyl 4-[1-(5-bromanyl-2-phenylmethoxy-phenyl)ethyl-ethyl-amino]benzoate Openeye Name: methyl 4-[1-(2-benzyloxy-5-bromo-phenyl)ethyl-ethyl-amino]benzoate CAS Name: 4-[1-(5-bromo-2-phenylmethoxyphenyl)ethyl-ethylamino]benzoic acid methyl ester IUPAC Name: methyl 4-[1-(5-bromo-2-phenylmethoxyphenyl)ethyl-ethylamino]benzoate Traditional Name: 4-[1-(2-benzoxy-5-bromo-phenyl)ethyl-ethyl-amino]benzoic acid methyl ester Formula: C25H26BrNO3 MolecularWeight: 468.38284

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)C(=O)OC)C(C)C2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

Isomeric SMILES

CCN(C1=CC=C(C=C1)C(=O)OC)C(C)C2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C25H26BrNO3/c1-4-27(22-13-10-20(11-14-22)25(28)29-3)18(2)23-16-21(26)12-15-24(23)30-17-19-8-6-5-7-9-19/h5-16,18H,4,17H2,1-3H3