5-fluoranyl-3-methyl-4-[3-(pyridin-3-ylmethylamino)propoxy]-1-benzofuran-2-carboxylic acid

Systemtic Name: 5-fluoranyl-3-methyl-4-[3-(pyridin-3-ylmethylamino)propoxy]-1-benzofuran-2-carboxylic acid Openeye Name: 5-fluoro-3-methyl-4-[3-(3-pyridylmethylamino)propoxy]benzofuran-2-carboxylic acid CAS Name: 5-fluoro-3-methyl-4-[3-(3-pyridinylmethylamino)propoxy]-2-benzofurancarboxylic acid IUPAC Name: 5-fluoro-3-methyl-4-[3-(pyridin-3-ylmethylamino)propoxy]-1-benzofuran-2-carboxylic acid Traditional Name: 5-fluoro-3-methyl-4-[3-(3-pyridylmethylamino)propoxy]coumarilic acid Formula: C19H19FN2O4 MolecularWeight: 358.363563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=C(C=C2)F)OCCCNCC3=CN=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(OC2=C1C(=C(C=C2)F)OCCCNCC3=CN=CC=C3)C(=O)O

InChI

InChI=1S/C19H19FN2O4/c1-12-16-15(26-17(12)19(23)24)6-5-14(20)18(16)25-9-3-8-22-11-13-4-2-7-21-10-13/h2,4-7,10,22H,3,8-9,11H2,1H3,(H,23,24)