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

Systemtic Name: 5-ethyl-3-methyl-4-[3-(pyridin-3-ylmethylamino)propoxy]-1-benzofuran-2-carboxylate Openeye Name: 5-ethyl-3-methyl-4-[3-(3-pyridylmethylamino)propoxy]benzofuran-2-carboxylate CAS Name: 5-ethyl-3-methyl-4-[3-(3-pyridinylmethylamino)propoxy]-2-benzofurancarboxylate IUPAC Name: 5-ethyl-3-methyl-4-[3-(pyridin-3-ylmethylamino)propoxy]-1-benzofuran-2-carboxylate Traditional Name: 5-ethyl-3-methyl-4-[3-(3-pyridylmethylamino)propoxy]coumarilate Formula: C21H23N2O4- MolecularWeight: 367.41832

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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)/p-1