1-(azepan-1-yl)-2-(4-bromanyl-2-tert-butyl-phenoxy)ethanone

Systemtic Name: 1-(azepan-1-yl)-2-(4-bromanyl-2-tert-butyl-phenoxy)ethanone Openeye Name: 1-(azepan-1-yl)-2-(4-bromo-2-tert-butyl-phenoxy)ethanone CAS Name: 1-(1-azepanyl)-2-(4-bromo-2-tert-butylphenoxy)ethanone IUPAC Name: 1-(azepan-1-yl)-2-(4-bromo-2-tert-butylphenoxy)ethanone Traditional Name: 1-(azepan-1-yl)-2-(4-bromo-2-tert-butyl-phenoxy)ethanone Formula: C18H26BrNO2 MolecularWeight: 368.30854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)Br)OCC(=O)N2CCCCCC2

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)Br)OCC(=O)N2CCCCCC2

InChI

InChI=1S/C18H26BrNO2/c1-18(2,3)15-12-14(19)8-9-16(15)22-13-17(21)20-10-6-4-5-7-11-20/h8-9,12H,4-7,10-11,13H2,1-3H3