3-[(2,6-ditert-butylphenoxy)methyl]azepan-2-one

Systemtic Name: 3-[(2,6-ditert-butylphenoxy)methyl]azepan-2-one Openeye Name: 3-[(2,6-ditert-butylphenoxy)methyl]azepan-2-one CAS Name: 3-[(2,6-ditert-butylphenoxy)methyl]-2-azepanone IUPAC Name: 3-[(2,6-ditert-butylphenoxy)methyl]azepan-2-one Traditional Name: 3-[(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)OCC2CCCCNC2=O

Isomeric SMILES

CC(C)(C)C1=C(C(=CC=C1)C(C)(C)C)OCC2CCCCNC2=O

InChI

InChI=1S/C21H33NO2/c1-20(2,3)16-11-9-12-17(21(4,5)6)18(16)24-14-15-10-7-8-13-22-19(15)23/h9,11-12,15H,7-8,10,13-14H2,1-6H3,(H,22,23)