2-(isoquinolin-3-ylcarbonylamino)hexanoic acid

Systemtic Name: 2-(isoquinolin-3-ylcarbonylamino)hexanoic acid Openeye Name: 2-(isoquinoline-3-carbonylamino)hexanoic acid CAS Name: 2-[[3-isoquinolinyl(oxo)methyl]amino]hexanoic acid IUPAC Name: 2-(isoquinoline-3-carbonylamino)hexanoic acid Traditional Name: 2-(isoquinoline-3-carbonylamino)hexanoic acid Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC(=O)C1=CC2=CC=CC=C2C=N1

Isomeric SMILES

CCCCC(C(=O)O)NC(=O)C1=CC2=CC=CC=C2C=N1

InChI

InChI=1S/C16H18N2O3/c1-2-3-8-13(16(20)21)18-15(19)14-9-11-6-4-5-7-12(11)10-17-14/h4-7,9-10,13H,2-3,8H2,1H3,(H,18,19)(H,20,21)