2-[[1-cyano-6-(2,3-dihydro-1-benzofuran-5-yloxy)-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[1-cyano-6-(2,3-dihydro-1-benzofuran-5-yloxy)-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[1-cyano-6-(2,3-dihydrobenzofuran-5-yloxy)-4-hydroxy-isoquinoline-3-carbonyl]amino]acetic acid CAS Name: 2-[[[1-cyano-6-(2,3-dihydrobenzofuran-5-yloxy)-4-hydroxy-3-isoquinolinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[1-cyano-6-(2,3-dihydro-1-benzofuran-5-yloxy)-4-hydroxyisoquinoline-3-carbonyl]amino]acetic acid Traditional Name: 2-[(6-coumaran-5-yloxy-1-cyano-4-hydroxy-isoquinoline-3-carbonyl)amino]acetic acid Formula: C21H15N3O6 MolecularWeight: 405.3603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)OC3=CC4=C(C(=NC(=C4C=C3)C#N)C(=O)NCC(=O)O)O

Isomeric SMILES

C1COC2=C1C=C(C=C2)OC3=CC4=C(C(=NC(=C4C=C3)C#N)C(=O)NCC(=O)O)O

InChI

InChI=1S/C21H15N3O6/c22-9-16-14-3-1-13(30-12-2-4-17-11(7-12)5-6-29-17)8-15(14)20(27)19(24-16)21(28)23-10-18(25)26/h1-4,7-8,27H,5-6,10H2,(H,23,28)(H,25,26)