3-butyl-2-methyl-3-oxidanyl-isoindol-1-one

Systemtic Name: 3-butyl-2-methyl-3-oxidanyl-isoindol-1-one Openeye Name: 3-butyl-3-hydroxy-2-methyl-isoindolin-1-one CAS Name: 3-butyl-3-hydroxy-2-methyl-1-isoindolone IUPAC Name: 3-butyl-3-hydroxy-2-methylisoindol-1-one Traditional Name: 3-butyl-3-hydroxy-2-methyl-isoindolin-1-one Formula: C13H17NO2 MolecularWeight: 219.27958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C2=CC=CC=C2C(=O)N1C)O

Isomeric SMILES

CCCCC1(C2=CC=CC=C2C(=O)N1C)O

InChI

InChI=1S/C13H17NO2/c1-3-4-9-13(16)11-8-6-5-7-10(11)12(15)14(13)2/h5-8,16H,3-4,9H2,1-2H3