3-methyl-3-(phenylmethyl)oxepan-2-one

Systemtic Name: 3-methyl-3-(phenylmethyl)oxepan-2-one Openeye Name: 3-benzyl-3-methyl-oxepan-2-one CAS Name: 3-methyl-3-(phenylmethyl)-2-oxepanone IUPAC Name: 3-benzyl-3-methyloxepan-2-one Traditional Name: 3-benzyl-3-methyl-oxepan-2-one Formula: C14H18O2 MolecularWeight: 218.29152

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCCOC1=O)CC2=CC=CC=C2

Isomeric SMILES

CC1(CCCCOC1=O)CC2=CC=CC=C2

InChI

InChI=1S/C14H18O2/c1-14(9-5-6-10-16-13(14)15)11-12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-11H2,1H3