2-(isoquinolin-3-yloxycarbonylamino)ethanoic acid

Systemtic Name: 2-(isoquinolin-3-yloxycarbonylamino)ethanoic acid Openeye Name: 2-(3-isoquinolyloxycarbonylamino)acetic acid CAS Name: 2-[[3-isoquinolinyloxy(oxo)methyl]amino]acetic acid IUPAC Name: 2-(isoquinolin-3-yloxycarbonylamino)acetic acid Traditional Name: 2-(3-isoquinolyloxycarbonylamino)acetic acid Formula: C12H10N2O4 MolecularWeight: 246.2188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=NC(=CC2=C1)OC(=O)NCC(=O)O

Isomeric SMILES

C1=CC=C2C=NC(=CC2=C1)OC(=O)NCC(=O)O

InChI

InChI=1S/C12H10N2O4/c15-11(16)7-14-12(17)18-10-5-8-3-1-2-4-9(8)6-13-10/h1-6H,7H2,(H,14,17)(H,15,16)