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

Systemtic Name: 3-(azidomethyl)-4-[3-(pyridin-3-ylmethylamino)propoxy]-1-benzofuran-2-carboxylic acid Openeye Name: 3-(azidomethyl)-4-[3-(3-pyridylmethylamino)propoxy]benzofuran-2-carboxylic acid CAS Name: 3-(azidomethyl)-4-[3-(3-pyridinylmethylamino)propoxy]-2-benzofurancarboxylic acid IUPAC Name: 3-(azidomethyl)-4-[3-(pyridin-3-ylmethylamino)propoxy]-1-benzofuran-2-carboxylic acid Traditional Name: 3-(azidomethyl)-4-[3-(3-pyridylmethylamino)propoxy]coumarilic acid Formula: C19H19N5O4 MolecularWeight: 381.38526

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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=[N+]=[N-]

Isomeric SMILES

C1=CC2=C(C(=C1)OCCCNCC3=CN=CC=C3)C(=C(O2)C(=O)O)CN=[N+]=[N-]

InChI

InChI=1S/C19H19N5O4/c20-24-23-12-14-17-15(5-1-6-16(17)28-18(14)19(25)26)27-9-3-8-22-11-13-4-2-7-21-10-13/h1-2,4-7,10,22H,3,8-9,11-12H2,(H,25,26)