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

Systemtic Name: 3-methyl-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]-3-methyl-benzofuran-2-carboxylic acid CAS Name: 5-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]ethoxy]-3-methyl-2-benzofurancarboxylic acid IUPAC Name: 5-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]ethoxy]-3-methyl-1-benzofuran-2-carboxylic acid Traditional Name: 5-[2-[[(2S)-2-hydroxy-3-phenoxy-propyl]amino]ethoxy]-3-methyl-coumarilic acid Formula: C21H23NO6 MolecularWeight: 385.41042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)OCCNCC(COC3=CC=CC=C3)O)C(=O)O

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)OCCNC[C@@H](COC3=CC=CC=C3)O)C(=O)O

InChI

InChI=1S/C21H23NO6/c1-14-18-11-17(7-8-19(18)28-20(14)21(24)25)26-10-9-22-12-15(23)13-27-16-5-3-2-4-6-16/h2-8,11,15,22-23H,9-10,12-13H2,1H3,(H,24,25)/t15-/m0/s1