2-(6-oxidanylidenepyran-3-yl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-(6-oxidanylidenepyran-3-yl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-(6-oxopyran-3-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[oxo-(6-oxo-3-pyranyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-(6-oxopyran-3-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-(6-ketopyran-3-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C16H13NO5 MolecularWeight: 299.27812

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)C3=COC(=O)C=C3)C(=O)O

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)C(=O)C3=COC(=O)C=C3)C(=O)O

InChI

InChI=1S/C16H13NO5/c18-14-6-5-12(9-22-14)15(19)17-8-11-4-2-1-3-10(11)7-13(17)16(20)21/h1-6,9,13H,7-8H2,(H,20,21)