(3E)-2,2-dimethyl-5-oxidanyl-3-(oxidanylmethylidene)-7-(5-pyridin-4-ylpentan-2-yl)chromen-4-one

Systemtic Name: (3E)-2,2-dimethyl-5-oxidanyl-3-(oxidanylmethylidene)-7-(5-pyridin-4-ylpentan-2-yl)chromen-4-one Openeye Name: (3E)-5-hydroxy-3-(hydroxymethylene)-2,2-dimethyl-7-[1-methyl-4-(4-pyridyl)butyl]chroman-4-one CAS Name: (3E)-5-hydroxy-3-(hydroxymethylidene)-2,2-dimethyl-7-(5-pyridin-4-ylpentan-2-yl)-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: (3E)-5-hydroxy-3-(hydroxymethylidene)-2,2-dimethyl-7-(5-pyridin-4-ylpentan-2-yl)chromen-4-one Traditional Name: (3E)-5-hydroxy-3-(hydroxymethylene)-2,2-dimethyl-7-[1-methyl-4-(4-pyridyl)butyl]chroman-4-one Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC1=CC=NC=C1)C2=CC3=C(C(=C2)O)C(=O)C(=CO)C(O3)(C)C

Isomeric SMILES

CC(CCCC1=CC=NC=C1)C2=CC3=C(C(=C2)O)C(=O)/C(=C/O)/C(O3)(C)C

InChI

InChI=1S/C22H25NO4/c1-14(5-4-6-15-7-9-23-10-8-15)16-11-18(25)20-19(12-16)27-22(2,3)17(13-24)21(20)26/h7-14,24-25H,4-6H2,1-3H3/b17-13-