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

Systemtic Name: 4-[(4-bromanyl-2-phenylmethoxy-phenyl)methyl-ethyl-amino]benzoic acid Openeye Name: 4-[(2-benzyloxy-4-bromo-phenyl)methyl-ethyl-amino]benzoic acid CAS Name: 4-[(4-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]benzoic acid IUPAC Name: 4-[(4-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]benzoic acid Traditional Name: 4-[(2-benzoxy-4-bromo-benzyl)-ethyl-amino]benzoic acid Formula: C23H22BrNO3 MolecularWeight: 440.32968

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(C=C(C=C1)Br)OCC2=CC=CC=C2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCN(CC1=C(C=C(C=C1)Br)OCC2=CC=CC=C2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C23H22BrNO3/c1-2-25(21-12-9-18(10-13-21)23(26)27)15-19-8-11-20(24)14-22(19)28-16-17-6-4-3-5-7-17/h3-14H,2,15-16H2,1H3,(H,26,27)