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

Systemtic Name: 2-[(6-butoxy-1-chloranyl-4-oxidanyl-isoquinolin-3-yl)carbonylamino]ethanoic acid Openeye Name: 2-[(6-butoxy-1-chloro-4-hydroxy-isoquinoline-3-carbonyl)amino]acetic acid CAS Name: 2-[[(6-butoxy-1-chloro-4-hydroxy-3-isoquinolinyl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[(6-butoxy-1-chloro-4-hydroxyisoquinoline-3-carbonyl)amino]acetic acid Traditional Name: 2-[(6-butoxy-1-chloro-4-hydroxy-isoquinoline-3-carbonyl)amino]acetic acid Formula: C16H17ClN2O5 MolecularWeight: 352.76958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)C(=NC(=C2O)C(=O)NCC(=O)O)Cl

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)C(=NC(=C2O)C(=O)NCC(=O)O)Cl

InChI

InChI=1S/C16H17ClN2O5/c1-2-3-6-24-9-4-5-10-11(7-9)14(22)13(19-15(10)17)16(23)18-8-12(20)21/h4-5,7,22H,2-3,6,8H2,1H3,(H,18,23)(H,20,21)