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

Systemtic Name: 5-ethyl-3-methyl-4-[3-(pyridin-3-ylmethylamino)propoxy]-1-benzofuran-2-carboxylic acid Openeye Name: 5-ethyl-3-methyl-4-[3-(3-pyridylmethylamino)propoxy]benzofuran-2-carboxylic acid CAS Name: 5-ethyl-3-methyl-4-[3-(3-pyridinylmethylamino)propoxy]-2-benzofurancarboxylic acid IUPAC Name: 5-ethyl-3-methyl-4-[3-(pyridin-3-ylmethylamino)propoxy]-1-benzofuran-2-carboxylic acid Traditional Name: 5-ethyl-3-methyl-4-[3-(3-pyridylmethylamino)propoxy]coumarilic acid Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C=C1)OC(=C2C)C(=O)O)OCCCNCC3=CN=CC=C3

Isomeric SMILES

CCC1=C(C2=C(C=C1)OC(=C2C)C(=O)O)OCCCNCC3=CN=CC=C3

InChI

InChI=1S/C21H24N2O4/c1-3-16-7-8-17-18(14(2)19(27-17)21(24)25)20(16)26-11-5-10-23-13-15-6-4-9-22-12-15/h4,6-9,12,23H,3,5,10-11,13H2,1-2H3,(H,24,25)