2-[(7-butoxy-1-cyano-4-oxidanyl-isoquinolin-3-yl)carbonylamino]ethanoic acid

Systemtic Name: 2-[(7-butoxy-1-cyano-4-oxidanyl-isoquinolin-3-yl)carbonylamino]ethanoic acid Openeye Name: 2-[(7-butoxy-1-cyano-4-hydroxy-isoquinoline-3-carbonyl)amino]acetic acid CAS Name: 2-[[(7-butoxy-1-cyano-4-hydroxy-3-isoquinolinyl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[(7-butoxy-1-cyano-4-hydroxyisoquinoline-3-carbonyl)amino]acetic acid Traditional Name: 2-[(7-butoxy-1-cyano-4-hydroxy-isoquinoline-3-carbonyl)amino]acetic acid Formula: C17H17N3O5 MolecularWeight: 343.33398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(N=C(C(=C2C=C1)O)C(=O)NCC(=O)O)C#N

Isomeric SMILES

CCCCOC1=CC2=C(N=C(C(=C2C=C1)O)C(=O)NCC(=O)O)C#N

InChI

InChI=1S/C17H17N3O5/c1-2-3-6-25-10-4-5-11-12(7-10)13(8-18)20-15(16(11)23)17(24)19-9-14(21)22/h4-5,7,23H,2-3,6,9H2,1H3,(H,19,24)(H,21,22)