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

Systemtic Name: 3-(aminomethyl)-4-[3-(pyridin-3-ylmethylamino)propoxy]-1-benzofuran-2-carboxylic acid Openeye Name: 3-(aminomethyl)-4-[3-(3-pyridylmethylamino)propoxy]benzofuran-2-carboxylic acid CAS Name: 3-(aminomethyl)-4-[3-(3-pyridinylmethylamino)propoxy]-2-benzofurancarboxylic acid IUPAC Name: 3-(aminomethyl)-4-[3-(pyridin-3-ylmethylamino)propoxy]-1-benzofuran-2-carboxylic acid Traditional Name: 3-(aminomethyl)-4-[3-(3-pyridylmethylamino)propoxy]coumarilic acid Formula: C19H21N3O4 MolecularWeight: 355.38774

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)OCCCNCC3=CN=CC=C3)C(=C(O2)C(=O)O)CN

Isomeric SMILES

C1=CC2=C(C(=C1)OCCCNCC3=CN=CC=C3)C(=C(O2)C(=O)O)CN

InChI

InChI=1S/C19H21N3O4/c20-10-14-17-15(5-1-6-16(17)26-18(14)19(23)24)25-9-3-8-22-12-13-4-2-7-21-11-13/h1-2,4-7,11,22H,3,8-10,12,20H2,(H,23,24)