1-[(2,6-ditert-butylphenoxy)methyl]azepan-2-one

Systemtic Name: 1-[(2,6-ditert-butylphenoxy)methyl]azepan-2-one Openeye Name: 1-[(2,6-ditert-butylphenoxy)methyl]azepan-2-one CAS Name: 1-[(2,6-ditert-butylphenoxy)methyl]-2-azepanone IUPAC Name: 1-[(2,6-ditert-butylphenoxy)methyl]azepan-2-one Traditional Name: 1-[(2,6-ditert-butylphenoxy)methyl]azepan-2-one Formula: C21H33NO2 MolecularWeight: 331.49222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=CC=C1)C(C)(C)C)OCN2CCCCCC2=O

Isomeric SMILES

CC(C)(C)C1=C(C(=CC=C1)C(C)(C)C)OCN2CCCCCC2=O

InChI

InChI=1S/C21H33NO2/c1-20(2,3)16-11-10-12-17(21(4,5)6)19(16)24-15-22-14-9-7-8-13-18(22)23/h10-12H,7-9,13-15H2,1-6H3