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

Systemtic Name: ethyl 3-(aminomethyl)-4-[3-(pyridin-3-ylmethylamino)propoxy]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-(aminomethyl)-4-[3-(3-pyridylmethylamino)propoxy]benzofuran-2-carboxylate CAS Name: 3-(aminomethyl)-4-[3-(3-pyridinylmethylamino)propoxy]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-(aminomethyl)-4-[3-(pyridin-3-ylmethylamino)propoxy]-1-benzofuran-2-carboxylate Traditional Name: 3-(aminomethyl)-4-[3-(3-pyridylmethylamino)propoxy]coumarilic acid ethyl ester Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC=C2OCCCNCC3=CN=CC=C3)CN

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC=C2OCCCNCC3=CN=CC=C3)CN

InChI

InChI=1S/C21H25N3O4/c1-2-26-21(25)20-16(12-22)19-17(7-3-8-18(19)28-20)27-11-5-10-24-14-15-6-4-9-23-13-15/h3-4,6-9,13,24H,2,5,10-12,14,22H2,1H3