5-[3,4-bis(oxidanylidene)-6-(pyridin-3-ylmethyl)cyclohexa-1,5-dien-1-yl]pentanoic acid

Systemtic Name: 5-[3,4-bis(oxidanylidene)-6-(pyridin-3-ylmethyl)cyclohexa-1,5-dien-1-yl]pentanoic acid Openeye Name: 5-[3,4-dioxo-6-(3-pyridylmethyl)cyclohexa-1,5-dien-1-yl]pentanoic acid CAS Name: 5-[3,4-dioxo-6-(3-pyridinylmethyl)-1-cyclohexa-1,5-dienyl]pentanoic acid IUPAC Name: 5-[3,4-dioxo-6-(pyridin-3-ylmethyl)cyclohexa-1,5-dien-1-yl]pentanoic acid Traditional Name: 5-[3,4-diketo-6-(3-pyridylmethyl)cyclohexa-1,5-dien-1-yl]valeric acid Formula: C17H17NO4 MolecularWeight: 299.32118

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CC2=CC(=O)C(=O)C=C2CCCCC(=O)O

Isomeric SMILES

C1=CC(=CN=C1)CC2=CC(=O)C(=O)C=C2CCCCC(=O)O

InChI

InChI=1S/C17H17NO4/c19-15-9-13(5-1-2-6-17(21)22)14(10-16(15)20)8-12-4-3-7-18-11-12/h3-4,7,9-11H,1-2,5-6,8H2,(H,21,22)