5-(3-butan-2-yl-5-methyl-4H-1,2-oxazol-5-yl)-3-oxidanyl-cyclohex-2-en-1-one

Systemtic Name: 5-(3-butan-2-yl-5-methyl-4H-1,2-oxazol-5-yl)-3-oxidanyl-cyclohex-2-en-1-one Openeye Name: 3-hydroxy-5-(5-methyl-3-sec-butyl-4H-isoxazol-5-yl)cyclohex-2-en-1-one CAS Name: 5-(3-butan-2-yl-5-methyl-4H-isoxazol-5-yl)-3-hydroxy-1-cyclohex-2-enone IUPAC Name: 5-(3-butan-2-yl-5-methyl-4H-1,2-oxazol-5-yl)-3-hydroxycyclohex-2-en-1-one Traditional Name: 3-hydroxy-5-(5-methyl-3-sec-butyl-2-isoxazolin-5-yl)cyclohex-2-en-1-one Formula: C14H21NO3 MolecularWeight: 251.32144

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=NOC(C1)(C)C2CC(=CC(=O)C2)O

Isomeric SMILES

CCC(C)C1=NOC(C1)(C)C2CC(=CC(=O)C2)O

InChI

InChI=1S/C14H21NO3/c1-4-9(2)13-8-14(3,18-15-13)10-5-11(16)7-12(17)6-10/h7,9-10,16H,4-6,8H2,1-3H3