2-[4-[4-oxidanylidene-6-(pyridin-3-ylmethylcarbamoyl)pyran-2-yl]carbonylpiperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[4-oxidanylidene-6-(pyridin-3-ylmethylcarbamoyl)pyran-2-yl]carbonylpiperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[4-oxo-6-(3-pyridylmethylcarbamoyl)pyran-2-carbonyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[oxo-[4-oxo-6-[oxo-(3-pyridinylmethylamino)methyl]-2-pyranyl]methyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[4-oxo-6-(pyridin-3-ylmethylcarbamoyl)pyran-2-carbonyl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-[4-keto-6-(3-pyridylmethylcarbamoyl)pyran-2-carbonyl]piperazino]acetic acid Formula: C19H20N4O6 MolecularWeight: 400.3853

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)O)C(=O)C2=CC(=O)C=C(O2)C(=O)NCC3=CN=CC=C3

Isomeric SMILES

C1CN(CCN1CC(=O)O)C(=O)C2=CC(=O)C=C(O2)C(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C19H20N4O6/c24-14-8-15(18(27)21-11-13-2-1-3-20-10-13)29-16(9-14)19(28)23-6-4-22(5-7-23)12-17(25)26/h1-3,8-10H,4-7,11-12H2,(H,21,27)(H,25,26)