2-[(1-chloranyl-4-oxidanyl-6-propoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid

Systemtic Name: 2-[(1-chloranyl-4-oxidanyl-6-propoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid Openeye Name: 2-[(1-chloro-4-hydroxy-6-propoxy-isoquinoline-3-carbonyl)amino]acetic acid CAS Name: 2-[[(1-chloro-4-hydroxy-6-propoxy-3-isoquinolinyl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[(1-chloro-4-hydroxy-6-propoxyisoquinoline-3-carbonyl)amino]acetic acid Traditional Name: 2-[(1-chloro-4-hydroxy-6-propoxy-isoquinoline-3-carbonyl)amino]acetic acid Formula: C15H15ClN2O5 MolecularWeight: 338.743

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC2=C(C=C1)C(=NC(=C2O)C(=O)NCC(=O)O)Cl

Isomeric SMILES

CCCOC1=CC2=C(C=C1)C(=NC(=C2O)C(=O)NCC(=O)O)Cl

InChI

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