7-pyridin-3-yl-7-[2,4,5-trimethyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]heptanoic acid

Systemtic Name: 7-pyridin-3-yl-7-[2,4,5-trimethyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]heptanoic acid Openeye Name: 7-(3-pyridyl)-7-(2,4,5-trimethyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)heptanoic acid CAS Name: 7-(3-pyridinyl)-7-(2,4,5-trimethyl-3,6-dioxo-1-cyclohexa-1,4-dienyl)heptanoic acid IUPAC Name: 7-pyridin-3-yl-7-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)heptanoic acid Traditional Name: 7-(3,6-diketo-2,4,5-trimethyl-cyclohexa-1,4-dien-1-yl)-7-(3-pyridyl)enanthic acid Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO4/c1-13-14(2)21(26)19(15(3)20(13)25)17(16-8-7-11-22-12-16)9-5-4-6-10-18(23)24/h7-8,11-12,17H,4-6,9-10H2,1-3H3,(H,23,24)