5-[2-[[(2S)-2-oxidanyl-3-phenoxy-propyl]amino]ethoxy]-1-benzofuran-2-carboxylic acid

Systemtic Name: 5-[2-[[(2S)-2-oxidanyl-3-phenoxy-propyl]amino]ethoxy]-1-benzofuran-2-carboxylic acid Openeye Name: 5-[2-[[(2S)-2-hydroxy-3-phenoxy-propyl]amino]ethoxy]benzofuran-2-carboxylic acid CAS Name: 5-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]ethoxy]-2-benzofurancarboxylic acid IUPAC Name: 5-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]ethoxy]-1-benzofuran-2-carboxylic acid Traditional Name: 5-[2-[[(2S)-2-hydroxy-3-phenoxy-propyl]amino]ethoxy]coumarilic acid Formula: C20H21NO6 MolecularWeight: 371.38384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(CNCCOC2=CC3=C(C=C2)OC(=C3)C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)OC[C@H](CNCCOC2=CC3=C(C=C2)OC(=C3)C(=O)O)O

InChI

InChI=1S/C20H21NO6/c22-15(13-26-16-4-2-1-3-5-16)12-21-8-9-25-17-6-7-18-14(10-17)11-19(27-18)20(23)24/h1-7,10-11,15,21-22H,8-9,12-13H2,(H,23,24)/t15-/m0/s1