5-[2-[[2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]propyl]-1-benzofuran-2-carboxylic acid

Systemtic Name: 5-[2-[[2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]propyl]-1-benzofuran-2-carboxylic acid Openeye Name: 5-[2-[[2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]propyl]benzofuran-2-carboxylic acid CAS Name: 5-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-2-benzofurancarboxylic acid IUPAC Name: 5-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1-benzofuran-2-carboxylic acid Traditional Name: 5-[2-[[2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]propyl]coumarilic acid Formula: C20H20ClNO4 MolecularWeight: 373.8301

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC2=C(C=C1)OC(=C2)C(=O)O)NCC(C3=CC(=CC=C3)Cl)O

Isomeric SMILES

CC(CC1=CC2=C(C=C1)OC(=C2)C(=O)O)NCC(C3=CC(=CC=C3)Cl)O

InChI

InChI=1S/C20H20ClNO4/c1-12(22-11-17(23)14-3-2-4-16(21)9-14)7-13-5-6-18-15(8-13)10-19(26-18)20(24)25/h2-6,8-10,12,17,22-23H,7,11H2,1H3,(H,24,25)