3-[cyclopropyl(phenyl)methyl]-6-heptan-4-yl-2-oxidanyl-pyran-4-one

Systemtic Name: 3-[cyclopropyl(phenyl)methyl]-6-heptan-4-yl-2-oxidanyl-pyran-4-one Openeye Name: 3-[cyclopropyl(phenyl)methyl]-2-hydroxy-6-(1-propylbutyl)pyran-4-one CAS Name: 3-[cyclopropyl(phenyl)methyl]-6-heptan-4-yl-2-hydroxy-4-pyranone IUPAC Name: 3-[cyclopropyl(phenyl)methyl]-6-heptan-4-yl-2-hydroxypyran-4-one Traditional Name: 3-[cyclopropyl(phenyl)methyl]-2-hydroxy-6-(1-propylbutyl)pyran-4-one Formula: C22H28O3 MolecularWeight: 340.45592

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C1=CC(=O)C(=C(O1)O)C(C2CC2)C3=CC=CC=C3

Isomeric SMILES

CCCC(CCC)C1=CC(=O)C(=C(O1)O)C(C2CC2)C3=CC=CC=C3

InChI

InChI=1S/C22H28O3/c1-3-8-15(9-4-2)19-14-18(23)21(22(24)25-19)20(17-12-13-17)16-10-6-5-7-11-16/h5-7,10-11,14-15,17,20,24H,3-4,8-9,12-13H2,1-2H3