8-isoquinolin-4-yloctanoate

Systemtic Name: 8-isoquinolin-4-yloctanoate Openeye Name: 8-(4-isoquinolyl)octanoate CAS Name: 8-(4-isoquinolinyl)octanoate IUPAC Name: 8-isoquinolin-4-yloctanoate Traditional Name: 8-(4-isoquinolyl)caprylate Formula: C17H20NO2- MolecularWeight: 270.3462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NC=C2CCCCCCCC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=NC=C2CCCCCCCC(=O)[O-]

InChI

InChI=1S/C17H21NO2/c19-17(20)11-5-3-1-2-4-8-14-12-18-13-15-9-6-7-10-16(14)15/h6-7,9-10,12-13H,1-5,8,11H2,(H,19,20)/p-1