2-ethanoyl-3-isoquinolin-1-yl-4-oxidanylidene-pentanoic acid

Systemtic Name: 2-ethanoyl-3-isoquinolin-1-yl-4-oxidanylidene-pentanoic acid Openeye Name: 2-acetyl-3-(1-isoquinolyl)-4-oxo-pentanoic acid CAS Name: 2-acetyl-3-(1-isoquinolinyl)-4-oxopentanoic acid IUPAC Name: 2-acetyl-3-isoquinolin-1-yl-4-oxopentanoic acid Traditional Name: 2-acetyl-3-(1-isoquinolyl)-4-keto-valeric acid Formula: C16H15NO4 MolecularWeight: 285.2946

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C1=NC=CC2=CC=CC=C21)C(C(=O)C)C(=O)O

Isomeric SMILES

CC(=O)C(C1=NC=CC2=CC=CC=C21)C(C(=O)C)C(=O)O

InChI

InChI=1S/C16H15NO4/c1-9(18)13(14(10(2)19)16(20)21)15-12-6-4-3-5-11(12)7-8-17-15/h3-8,13-14H,1-2H3,(H,20,21)