4-[2-[[(2-oxidanyl-3-phenoxy-propyl)amino]methyl]-1-benzofuran-5-yl]benzoic acid

Systemtic Name: 4-[2-[[(2-oxidanyl-3-phenoxy-propyl)amino]methyl]-1-benzofuran-5-yl]benzoic acid Openeye Name: 4-[2-[[(2-hydroxy-3-phenoxy-propyl)amino]methyl]benzofuran-5-yl]benzoic acid CAS Name: 4-[2-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]-5-benzofuranyl]benzoic acid IUPAC Name: 4-[2-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]-1-benzofuran-5-yl]benzoic acid Traditional Name: 4-[2-[[(2-hydroxy-3-phenoxy-propyl)amino]methyl]benzofuran-5-yl]benzoic acid Formula: C25H23NO5 MolecularWeight: 417.45382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(CNCC2=CC3=C(O2)C=CC(=C3)C4=CC=C(C=C4)C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)OCC(CNCC2=CC3=C(O2)C=CC(=C3)C4=CC=C(C=C4)C(=O)O)O

InChI

InChI=1S/C25H23NO5/c27-21(16-30-22-4-2-1-3-5-22)14-26-15-23-13-20-12-19(10-11-24(20)31-23)17-6-8-18(9-7-17)25(28)29/h1-13,21,26-27H,14-16H2,(H,28,29)