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

Systemtic Name: 5-pyridin-3-yl-5-[2,4,5-trimethyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]pentanoic acid Openeye Name: 5-(3-pyridyl)-5-(2,4,5-trimethyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)pentanoic acid CAS Name: 5-(3-pyridinyl)-5-(2,4,5-trimethyl-3,6-dioxo-1-cyclohexa-1,4-dienyl)pentanoic acid IUPAC Name: 5-pyridin-3-yl-5-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)pentanoic acid Traditional Name: 5-(3,6-diketo-2,4,5-trimethyl-cyclohexa-1,4-dien-1-yl)-5-(3-pyridyl)valeric acid Formula: C19H21NO4 MolecularWeight: 327.37434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO4/c1-11-12(2)19(24)17(13(3)18(11)23)15(7-4-8-16(21)22)14-6-5-9-20-10-14/h5-6,9-10,15H,4,7-8H2,1-3H3,(H,21,22)