2-[(1-chloranyl-4-oxidanyl-6-propan-2-yloxy-isoquinolin-3-yl)carbonylamino]-2-methyl-propanoic acid

Systemtic Name: 2-[(1-chloranyl-4-oxidanyl-6-propan-2-yloxy-isoquinolin-3-yl)carbonylamino]-2-methyl-propanoic acid Openeye Name: 2-[(1-chloro-4-hydroxy-6-isopropoxy-isoquinoline-3-carbonyl)amino]-2-methyl-propanoic acid CAS Name: 2-[[(1-chloro-4-hydroxy-6-propan-2-yloxy-3-isoquinolinyl)-oxomethyl]amino]-2-methylpropanoic acid IUPAC Name: 2-[(1-chloro-4-hydroxy-6-propan-2-yloxyisoquinoline-3-carbonyl)amino]-2-methylpropanoic acid Traditional Name: 2-[(1-chloro-4-hydroxy-6-isopropoxy-isoquinoline-3-carbonyl)amino]-2-methyl-propionic acid Formula: C17H19ClN2O5 MolecularWeight: 366.79616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC2=C(C=C1)C(=NC(=C2O)C(=O)NC(C)(C)C(=O)O)Cl

Isomeric SMILES

CC(C)OC1=CC2=C(C=C1)C(=NC(=C2O)C(=O)NC(C)(C)C(=O)O)Cl

InChI

InChI=1S/C17H19ClN2O5/c1-8(2)25-9-5-6-10-11(7-9)13(21)12(19-14(10)18)15(22)20-17(3,4)16(23)24/h5-8,21H,1-4H3,(H,20,22)(H,23,24)