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

Systemtic Name: 4-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-ethyl-amino]-2-fluoranyl-benzoic acid Openeye Name: 4-[(2-benzyloxy-5-bromo-phenyl)methyl-ethyl-amino]-2-fluoro-benzoic acid CAS Name: 4-[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]-2-fluorobenzoic acid IUPAC Name: 4-[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]-2-fluorobenzoic acid Traditional Name: 4-[(2-benzoxy-5-bromo-benzyl)-ethyl-amino]-2-fluoro-benzoic acid Formula: C23H21BrFNO3 MolecularWeight: 458.320143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21BrFNO3/c1-2-26(19-9-10-20(23(27)28)21(25)13-19)14-17-12-18(24)8-11-22(17)29-15-16-6-4-3-5-7-16/h3-13H,2,14-15H2,1H3,(H,27,28)