4-[[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-ethyl-amino]methyl]benzoic acid

Systemtic Name: 4-[[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-ethyl-amino]methyl]benzoic acid Openeye Name: 4-[[(2-benzyloxy-5-bromo-phenyl)methyl-ethyl-amino]methyl]benzoic acid CAS Name: 4-[[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]methyl]benzoic acid IUPAC Name: 4-[[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]methyl]benzoic acid Traditional Name: 4-[[(2-benzoxy-5-bromo-benzyl)-ethyl-amino]methyl]benzoic acid Formula: C24H24BrNO3 MolecularWeight: 454.35626

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(C=C1)C(=O)O)CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

Isomeric SMILES

CCN(CC1=CC=C(C=C1)C(=O)O)CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C24H24BrNO3/c1-2-26(15-18-8-10-20(11-9-18)24(27)28)16-21-14-22(25)12-13-23(21)29-17-19-6-4-3-5-7-19/h3-14H,2,15-17H2,1H3,(H,27,28)