2-(isoquinolin-5-ylcarbamoylamino)ethanoic acid

Systemtic Name: 2-(isoquinolin-5-ylcarbamoylamino)ethanoic acid Openeye Name: 2-(5-isoquinolylcarbamoylamino)acetic acid CAS Name: 2-[[(5-isoquinolinylamino)-oxomethyl]amino]acetic acid IUPAC Name: 2-(isoquinolin-5-ylcarbamoylamino)acetic acid Traditional Name: 2-(5-isoquinolylcarbamoylamino)acetic acid Formula: C12H11N3O3 MolecularWeight: 245.23404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N3O3/c16-11(17)7-14-12(18)15-10-3-1-2-8-6-13-5-4-9(8)10/h1-6H,7H2,(H,16,17)(H2,14,15,18)