2-[[6-(4-chloranylphenoxy)-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[6-(4-chloranylphenoxy)-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[6-(4-chlorophenoxy)-4-hydroxy-isoquinoline-3-carbonyl]amino]acetic acid CAS Name: 2-[[[6-(4-chlorophenoxy)-4-hydroxy-3-isoquinolinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[6-(4-chlorophenoxy)-4-hydroxyisoquinoline-3-carbonyl]amino]acetic acid Traditional Name: 2-[[6-(4-chlorophenoxy)-4-hydroxy-isoquinoline-3-carbonyl]amino]acetic acid Formula: C18H13ClN2O5 MolecularWeight: 372.75922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OC2=CC3=C(C(=NC=C3C=C2)C(=O)NCC(=O)O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1OC2=CC3=C(C(=NC=C3C=C2)C(=O)NCC(=O)O)O)Cl

InChI

InChI=1S/C18H13ClN2O5/c19-11-2-5-12(6-3-11)26-13-4-1-10-8-20-16(17(24)14(10)7-13)18(25)21-9-15(22)23/h1-8,24H,9H2,(H,21,25)(H,22,23)