1-[5-[2-(hydroxymethyl)-1-methyl-cyclopropyl]-3,3-dimethyl-2H-1-benzofuran-7-yl]heptan-3-one

Systemtic Name: 1-[5-[2-(hydroxymethyl)-1-methyl-cyclopropyl]-3,3-dimethyl-2H-1-benzofuran-7-yl]heptan-3-one Openeye Name: 1-[5-[2-(hydroxymethyl)-1-methyl-cyclopropyl]-3,3-dimethyl-2H-benzofuran-7-yl]heptan-3-one CAS Name: 1-[5-[2-(hydroxymethyl)-1-methylcyclopropyl]-3,3-dimethyl-2H-benzofuran-7-yl]-3-heptanone IUPAC Name: 1-[5-[2-(hydroxymethyl)-1-methylcyclopropyl]-3,3-dimethyl-2H-1-benzofuran-7-yl]heptan-3-one Traditional Name: 1-[3,3-dimethyl-5-(1-methyl-2-methylol-cyclopropyl)coumaran-7-yl]heptan-3-one Formula: C22H32O3 MolecularWeight: 344.48768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)CCC1=CC(=CC2=C1OCC2(C)C)C3(CC3CO)C

Isomeric SMILES

CCCCC(=O)CCC1=CC(=CC2=C1OCC2(C)C)C3(CC3CO)C

InChI

InChI=1S/C22H32O3/c1-5-6-7-18(24)9-8-15-10-16(22(4)12-17(22)13-23)11-19-20(15)25-14-21(19,2)3/h10-11,17,23H,5-9,12-14H2,1-4H3