3-propan-2-yl-4-[3-(pyridin-3-ylmethylamino)propoxy]-1-benzofuran-2-carboxylic acid

Systemtic Name: 3-propan-2-yl-4-[3-(pyridin-3-ylmethylamino)propoxy]-1-benzofuran-2-carboxylic acid Openeye Name: 3-isopropyl-4-[3-(3-pyridylmethylamino)propoxy]benzofuran-2-carboxylic acid CAS Name: 3-propan-2-yl-4-[3-(3-pyridinylmethylamino)propoxy]-2-benzofurancarboxylic acid IUPAC Name: 3-propan-2-yl-4-[3-(pyridin-3-ylmethylamino)propoxy]-1-benzofuran-2-carboxylic acid Traditional Name: 3-isopropyl-4-[3-(3-pyridylmethylamino)propoxy]coumarilic acid Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(OC2=C1C(=CC=C2)OCCCNCC3=CN=CC=C3)C(=O)O

Isomeric SMILES

CC(C)C1=C(OC2=C1C(=CC=C2)OCCCNCC3=CN=CC=C3)C(=O)O

InChI

InChI=1S/C21H24N2O4/c1-14(2)18-19-16(7-3-8-17(19)27-20(18)21(24)25)26-11-5-10-23-13-15-6-4-9-22-12-15/h3-4,6-9,12,14,23H,5,10-11,13H2,1-2H3,(H,24,25)