1-(5-bromanyl-2-phenylmethoxy-phenyl)-N-ethyl-ethanamine; methyl benzoate

Systemtic Name: 1-(5-bromanyl-2-phenylmethoxy-phenyl)-N-ethyl-ethanamine; methyl benzoate Openeye Name: 1-(2-benzyloxy-5-bromo-phenyl)-N-ethyl-ethanamine; methyl benzoate CAS Name: benzoic acid methyl ester; 1-(5-bromo-2-phenylmethoxyphenyl)-N-ethylethanamine IUPAC Name: 1-(5-bromo-2-phenylmethoxyphenyl)-N-ethylethanamine; methyl benzoate Traditional Name: benzoic acid methyl ester; 1-(2-benzoxy-5-bromo-phenyl)ethyl-ethyl-amine Formula: C25H28BrNO3 MolecularWeight: 470.39872

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(C)C1=C(C=CC(=C1)Br)OCC2=CC=CC=C2.COC(=O)C1=CC=CC=C1

Isomeric SMILES

CCNC(C)C1=C(C=CC(=C1)Br)OCC2=CC=CC=C2.COC(=O)C1=CC=CC=C1

InChI

InChI=1S/C17H20BrNO.C8H8O2/c1-3-19-13(2)16-11-15(18)9-10-17(16)20-12-14-7-5-4-6-8-14;1-10-8(9)7-5-3-2-4-6-7/h4-11,13,19H,3,12H2,1-2H3;2-6H,1H3