3,3-dimethyl-7-(2-methylpropyl)-2,4-dihydro-1-benzoxepin-5-one

Systemtic Name: 3,3-dimethyl-7-(2-methylpropyl)-2,4-dihydro-1-benzoxepin-5-one Openeye Name: 7-isobutyl-3,3-dimethyl-2,4-dihydro-1-benzoxepin-5-one CAS Name: 3,3-dimethyl-7-(2-methylpropyl)-2,4-dihydro-1-benzoxepin-5-one IUPAC Name: 3,3-dimethyl-7-(2-methylpropyl)-2,4-dihydro-1-benzoxepin-5-one Traditional Name: 7-isobutyl-3,3-dimethyl-2,4-dihydro-1-benzoxepin-5-one Formula: C16H22O2 MolecularWeight: 246.34468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC2=C(C=C1)OCC(CC2=O)(C)C

Isomeric SMILES

CC(C)CC1=CC2=C(C=C1)OCC(CC2=O)(C)C

InChI

InChI=1S/C16H22O2/c1-11(2)7-12-5-6-15-13(8-12)14(17)9-16(3,4)10-18-15/h5-6,8,11H,7,9-10H2,1-4H3