6-[2-[[(2R)-2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]ethoxy]-3-methyl-1-benzofuran-2-carboxylic acid

Systemtic Name: 6-[2-[[(2R)-2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]ethoxy]-3-methyl-1-benzofuran-2-carboxylic acid Openeye Name: 6-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]ethoxy]-3-methyl-benzofuran-2-carboxylic acid CAS Name: 6-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethoxy]-3-methyl-2-benzofurancarboxylic acid IUPAC Name: 6-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethoxy]-3-methyl-1-benzofuran-2-carboxylic acid Traditional Name: 6-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]ethoxy]-3-methyl-coumarilic acid Formula: C20H20ClNO5 MolecularWeight: 389.8295

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClNO5/c1-12-16-6-5-15(10-18(16)27-19(12)20(24)25)26-8-7-22-11-17(23)13-3-2-4-14(21)9-13/h2-6,9-10,17,22-23H,7-8,11H2,1H3,(H,24,25)/t17-/m0/s1