4-(isoquinolin-5-ylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(isoquinolin-5-ylamino)-4-oxidanylidene-butanoic acid Openeye Name: 4-(5-isoquinolylamino)-4-oxo-butanoic acid CAS Name: 4-(5-isoquinolinylamino)-4-oxobutanoic acid IUPAC Name: 4-(isoquinolin-5-ylamino)-4-oxobutanoic acid Traditional Name: 4-(5-isoquinolylamino)-4-keto-butyric acid Formula: C13H12N2O3 MolecularWeight: 244.24598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)NC(=O)CCC(=O)O

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)NC(=O)CCC(=O)O

InChI

InChI=1S/C13H12N2O3/c16-12(4-5-13(17)18)15-11-3-1-2-9-8-14-7-6-10(9)11/h1-3,6-8H,4-5H2,(H,15,16)(H,17,18)