2-[isoquinolin-5-ylcarbamoyl(methyl)amino]ethanoic acid

Systemtic Name: 2-[isoquinolin-5-ylcarbamoyl(methyl)amino]ethanoic acid Openeye Name: 2-[5-isoquinolylcarbamoyl(methyl)amino]acetic acid CAS Name: 2-[[(5-isoquinolinylamino)-oxomethyl]-methylamino]acetic acid IUPAC Name: 2-[isoquinolin-5-ylcarbamoyl(methyl)amino]acetic acid Traditional Name: 2-[5-isoquinolylcarbamoyl(methyl)amino]acetic acid Formula: C13H13N3O3 MolecularWeight: 259.26062

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)O)C(=O)NC1=CC=CC2=C1C=CN=C2

Isomeric SMILES

CN(CC(=O)O)C(=O)NC1=CC=CC2=C1C=CN=C2

InChI

InChI=1S/C13H13N3O3/c1-16(8-12(17)18)13(19)15-11-4-2-3-9-7-14-6-5-10(9)11/h2-7H,8H2,1H3,(H,15,19)(H,17,18)