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

Systemtic Name: 4-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-methyl-amino]benzoic acid Openeye Name: 4-[(2-benzyloxy-5-bromo-phenyl)methyl-methyl-amino]benzoic acid CAS Name: 4-[(5-bromo-2-phenylmethoxyphenyl)methyl-methylamino]benzoic acid IUPAC Name: 4-[(5-bromo-2-phenylmethoxyphenyl)methyl-methylamino]benzoic acid Traditional Name: 4-[(2-benzoxy-5-bromo-benzyl)-methyl-amino]benzoic acid Formula: C22H20BrNO3 MolecularWeight: 426.3031

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20BrNO3/c1-24(20-10-7-17(8-11-20)22(25)26)14-18-13-19(23)9-12-21(18)27-15-16-5-3-2-4-6-16/h2-13H,14-15H2,1H3,(H,25,26)