benzoyl chloride; N-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl]ethanamine

Systemtic Name: benzoyl chloride; N-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl]ethanamine Openeye Name: benzoyl chloride; N-[(2-benzyloxy-5-bromo-phenyl)methyl]ethanamine CAS Name: benzoyl chloride; N-[(5-bromo-2-phenylmethoxyphenyl)methyl]ethanamine IUPAC Name: benzoyl chloride; N-[(5-bromo-2-phenylmethoxyphenyl)methyl]ethanamine Traditional Name: (2-benzoxy-5-bromo-benzyl)-ethyl-amine; benzoyl chloride Formula: C23H23BrClNO2 MolecularWeight: 460.79122

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2.C1=CC=C(C=C1)C(=O)Cl

Isomeric SMILES

CCNCC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2.C1=CC=C(C=C1)C(=O)Cl

InChI

InChI=1S/C16H18BrNO.C7H5ClO/c1-2-18-11-14-10-15(17)8-9-16(14)19-12-13-6-4-3-5-7-13;8-7(9)6-4-2-1-3-5-6/h3-10,18H,2,11-12H2,1H3;1-5H