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

Systemtic Name: N-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl]-N-methyl-ethanamine; ethyl benzoate Openeye Name: N-[(2-benzyloxy-5-bromo-phenyl)methyl]-N-methyl-ethanamine; ethyl benzoate CAS Name: benzoic acid ethyl ester; N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-N-methylethanamine IUPAC Name: N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-N-methylethanamine; ethyl benzoate Traditional Name: benzoic acid ethyl ester; (2-benzoxy-5-bromo-benzyl)-ethyl-methyl-amine Formula: C26H30BrNO3 MolecularWeight: 484.4253

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C)CC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2.CCOC(=O)C1=CC=CC=C1

Isomeric SMILES

CCN(C)CC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2.CCOC(=O)C1=CC=CC=C1

InChI

InChI=1S/C17H20BrNO.C9H10O2/c1-3-19(2)12-15-11-16(18)9-10-17(15)20-13-14-7-5-4-6-8-14;1-2-11-9(10)8-6-4-3-5-7-8/h4-11H,3,12-13H2,1-2H3;3-7H,2H2,1H3