5-(3-methoxy-4,6-dimethyl-pyridin-2-yl)-2-(1-oxidanylbutylidene)cyclohexane-1,3-dione

Systemtic Name: 5-(3-methoxy-4,6-dimethyl-pyridin-2-yl)-2-(1-oxidanylbutylidene)cyclohexane-1,3-dione Openeye Name: 2-(1-hydroxybutylidene)-5-(3-methoxy-4,6-dimethyl-2-pyridyl)cyclohexane-1,3-dione CAS Name: 2-(1-hydroxybutylidene)-5-(3-methoxy-4,6-dimethyl-2-pyridinyl)cyclohexane-1,3-dione IUPAC Name: 2-(1-hydroxybutylidene)-5-(3-methoxy-4,6-dimethylpyridin-2-yl)cyclohexane-1,3-dione Traditional Name: 2-(1-hydroxybutylidene)-5-(3-methoxy-4,6-dimethyl-2-pyridyl)cyclohexane-1,3-quinone Formula: C18H23NO4 MolecularWeight: 317.37952

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=C1C(=O)CC(CC1=O)C2=C(C(=CC(=N2)C)C)OC)O

Isomeric SMILES

CCCC(=C1C(=O)CC(CC1=O)C2=C(C(=CC(=N2)C)C)OC)O

InChI

InChI=1S/C18H23NO4/c1-5-6-13(20)16-14(21)8-12(9-15(16)22)17-18(23-4)10(2)7-11(3)19-17/h7,12,20H,5-6,8-9H2,1-4H3