5-[2-oxidanyl-3-(propan-2-ylamino)propoxy]-2-phenyl-1-benzofuran-3-carboxylic acid

Systemtic Name: 5-[2-oxidanyl-3-(propan-2-ylamino)propoxy]-2-phenyl-1-benzofuran-3-carboxylic acid Openeye Name: 5-[2-hydroxy-3-(isopropylamino)propoxy]-2-phenyl-benzofuran-3-carboxylic acid CAS Name: 5-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2-phenyl-3-benzofurancarboxylic acid IUPAC Name: 5-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2-phenyl-1-benzofuran-3-carboxylic acid Traditional Name: 5-[2-hydroxy-3-(isopropylamino)propoxy]-2-phenyl-benzofuran-3-carboxylic acid Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(COC1=CC2=C(C=C1)OC(=C2C(=O)O)C3=CC=CC=C3)O

Isomeric SMILES

CC(C)NCC(COC1=CC2=C(C=C1)OC(=C2C(=O)O)C3=CC=CC=C3)O

InChI

InChI=1S/C21H23NO5/c1-13(2)22-11-15(23)12-26-16-8-9-18-17(10-16)19(21(24)25)20(27-18)14-6-4-3-5-7-14/h3-10,13,15,22-23H,11-12H2,1-2H3,(H,24,25)