6-pyridin-3-yl-6-[2,4,5-trimethyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]hexanoic acid

Systemtic Name: 6-pyridin-3-yl-6-[2,4,5-trimethyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]hexanoic acid Openeye Name: 6-(3-pyridyl)-6-(2,4,5-trimethyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)hexanoic acid CAS Name: 6-(3-pyridinyl)-6-(2,4,5-trimethyl-3,6-dioxo-1-cyclohexa-1,4-dienyl)hexanoic acid IUPAC Name: 6-pyridin-3-yl-6-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)hexanoic acid Traditional Name: 6-(3,6-diketo-2,4,5-trimethyl-cyclohexa-1,4-dien-1-yl)-6-(3-pyridyl)hexanoic acid Formula: C20H23NO4 MolecularWeight: 341.40092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=C(C1=O)C)C(CCCCC(=O)O)C2=CN=CC=C2)C

Isomeric SMILES

CC1=C(C(=O)C(=C(C1=O)C)C(CCCCC(=O)O)C2=CN=CC=C2)C

InChI

InChI=1S/C20H23NO4/c1-12-13(2)20(25)18(14(3)19(12)24)16(8-4-5-9-17(22)23)15-7-6-10-21-11-15/h6-7,10-11,16H,4-5,8-9H2,1-3H3,(H,22,23)