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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1.CNCCC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1.CNCCC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2

InChI

InChI=1S/C16H18BrNO.C9H10O2/c1-18-10-9-14-11-15(17)7-8-16(14)19-12-13-5-3-2-4-6-13;1-2-11-9(10)8-6-4-3-5-7-8/h2-8,11,18H,9-10,12H2,1H3;3-7H,2H2,1H3