2-[[1-(dimethylcarbamoyl)-4-oxidanyl-7-phenoxy-isoquinolin-3-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[1-(dimethylcarbamoyl)-4-oxidanyl-7-phenoxy-isoquinolin-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[1-(dimethylcarbamoyl)-4-hydroxy-7-phenoxy-isoquinoline-3-carbonyl]amino]acetic acid CAS Name: 2-[[[1-[dimethylamino(oxo)methyl]-4-hydroxy-7-phenoxy-3-isoquinolinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[1-(dimethylcarbamoyl)-4-hydroxy-7-phenoxyisoquinoline-3-carbonyl]amino]acetic acid Traditional Name: 2-[[1-(dimethylcarbamoyl)-4-hydroxy-7-phenoxy-isoquinoline-3-carbonyl]amino]acetic acid Formula: C21H19N3O6 MolecularWeight: 409.39206

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=NC(=C(C2=C1C=C(C=C2)OC3=CC=CC=C3)O)C(=O)NCC(=O)O

Isomeric SMILES

CN(C)C(=O)C1=NC(=C(C2=C1C=C(C=C2)OC3=CC=CC=C3)O)C(=O)NCC(=O)O

InChI

InChI=1S/C21H19N3O6/c1-24(2)21(29)17-15-10-13(30-12-6-4-3-5-7-12)8-9-14(15)19(27)18(23-17)20(28)22-11-16(25)26/h3-10,27H,11H2,1-2H3,(H,22,28)(H,25,26)