2-[[1-(dimethylcarbamoyl)-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[1-(dimethylcarbamoyl)-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[1-(dimethylcarbamoyl)-4-hydroxy-isoquinoline-3-carbonyl]amino]acetic acid CAS Name: 2-[[[1-[dimethylamino(oxo)methyl]-4-hydroxy-3-isoquinolinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[1-(dimethylcarbamoyl)-4-hydroxyisoquinoline-3-carbonyl]amino]acetic acid Traditional Name: 2-[[1-(dimethylcarbamoyl)-4-hydroxy-isoquinoline-3-carbonyl]amino]acetic acid Formula: C15H15N3O5 MolecularWeight: 317.2967

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=NC(=C(C2=CC=CC=C21)O)C(=O)NCC(=O)O

Isomeric SMILES

CN(C)C(=O)C1=NC(=C(C2=CC=CC=C21)O)C(=O)NCC(=O)O

InChI

InChI=1S/C15H15N3O5/c1-18(2)15(23)11-8-5-3-4-6-9(8)13(21)12(17-11)14(22)16-7-10(19)20/h3-6,21H,7H2,1-2H3,(H,16,22)(H,19,20)