2-(2-ethyl-1-oxidanylidene-isoquinolin-5-yl)oxyhexanoic acid

Systemtic Name: 2-(2-ethyl-1-oxidanylidene-isoquinolin-5-yl)oxyhexanoic acid Openeye Name: 2-[(2-ethyl-1-oxo-5-isoquinolyl)oxy]hexanoic acid CAS Name: 2-[(2-ethyl-1-oxo-5-isoquinolinyl)oxy]hexanoic acid IUPAC Name: 2-(2-ethyl-1-oxoisoquinolin-5-yl)oxyhexanoic acid Traditional Name: 2-[(2-ethyl-1-keto-5-isoquinolyl)oxy]hexanoic acid Formula: C17H21NO4 MolecularWeight: 303.35294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)OC1=CC=CC2=C1C=CN(C2=O)CC

Isomeric SMILES

CCCCC(C(=O)O)OC1=CC=CC2=C1C=CN(C2=O)CC

InChI

InChI=1S/C17H21NO4/c1-3-5-8-15(17(20)21)22-14-9-6-7-13-12(14)10-11-18(4-2)16(13)19/h6-7,9-11,15H,3-5,8H2,1-2H3,(H,20,21)