1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(2,6-ditert-butyl-4-methyl-phenoxy)ethanone

Systemtic Name: 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(2,6-ditert-butyl-4-methyl-phenoxy)ethanone Openeye Name: 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(2,6-ditert-butyl-4-methyl-phenoxy)ethanone CAS Name: 1-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-2-(2,6-ditert-butyl-4-methylphenoxy)ethanone IUPAC Name: 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(2,6-ditert-butyl-4-methylphenoxy)ethanone Traditional Name: 1-[4-(4-chlorobenzyl)piperazino]-2-(2,6-ditert-butyl-4-methyl-phenoxy)ethanone Formula: C28H39ClN2O2 MolecularWeight: 471.07446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(C)(C)C)OCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)Cl)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C(C)(C)C)OCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)Cl)C(C)(C)C

InChI

InChI=1S/C28H39ClN2O2/c1-20-16-23(27(2,3)4)26(24(17-20)28(5,6)7)33-19-25(32)31-14-12-30(13-15-31)18-21-8-10-22(29)11-9-21/h8-11,16-17H,12-15,18-19H2,1-7H3