2-(1,3-diethylisoquinolin-7-yl)-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-(1,3-diethylisoquinolin-7-yl)-2-oxidanylidene-ethanoic acid Openeye Name: 2-(1,3-diethyl-7-isoquinolyl)-2-oxo-acetic acid CAS Name: 2-(1,3-diethyl-7-isoquinolinyl)-2-oxoacetic acid IUPAC Name: 2-(1,3-diethylisoquinolin-7-yl)-2-oxoacetic acid Traditional Name: 2-(1,3-diethyl-7-isoquinolyl)-2-keto-acetic acid Formula: C15H15NO3 MolecularWeight: 257.2845

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C2C=C(C=CC2=C1)C(=O)C(=O)O)CC

Isomeric SMILES

CCC1=NC(=C2C=C(C=CC2=C1)C(=O)C(=O)O)CC

InChI

InChI=1S/C15H15NO3/c1-3-11-7-9-5-6-10(14(17)15(18)19)8-12(9)13(4-2)16-11/h5-8H,3-4H2,1-2H3,(H,18,19)