2-[(1-chloranyl-4-oxidanyl-7-propan-2-yloxy-isoquinolin-3-yl)carbonylamino]ethanoic acid

Systemtic Name: 2-[(1-chloranyl-4-oxidanyl-7-propan-2-yloxy-isoquinolin-3-yl)carbonylamino]ethanoic acid Openeye Name: 2-[(1-chloro-4-hydroxy-7-isopropoxy-isoquinoline-3-carbonyl)amino]acetic acid CAS Name: 2-[[(1-chloro-4-hydroxy-7-propan-2-yloxy-3-isoquinolinyl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[(1-chloro-4-hydroxy-7-propan-2-yloxyisoquinoline-3-carbonyl)amino]acetic acid Traditional Name: 2-[(1-chloro-4-hydroxy-7-isopropoxy-isoquinoline-3-carbonyl)amino]acetic acid Formula: C15H15ClN2O5 MolecularWeight: 338.743

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC2=C(C=C1)C(=C(N=C2Cl)C(=O)NCC(=O)O)O

Isomeric SMILES

CC(C)OC1=CC2=C(C=C1)C(=C(N=C2Cl)C(=O)NCC(=O)O)O

InChI

InChI=1S/C15H15ClN2O5/c1-7(2)23-8-3-4-9-10(5-8)14(16)18-12(13(9)21)15(22)17-6-11(19)20/h3-5,7,21H,6H2,1-2H3,(H,17,22)(H,19,20)