1-[4-[4-[3-(4-tert-butyl-2-methyl-phenoxy)-2-oxidanyl-propyl]piperazin-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-[3-(4-tert-butyl-2-methyl-phenoxy)-2-oxidanyl-propyl]piperazin-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[3-(4-tert-butyl-2-methyl-phenoxy)-2-hydroxy-propyl]piperazin-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[3-(4-tert-butyl-2-methyl-phenoxy)-2-hydroxy-propyl]piperazino]phenyl]ethanone Formula: C26H36N2O3 MolecularWeight: 424.57564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(C)C)OCC(CN2CCN(CC2)C3=CC=C(C=C3)C(=O)C)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)C)OCC(CN2CCN(CC2)C3=CC=C(C=C3)C(=O)C)O

InChI

InChI=1S/C26H36N2O3/c1-19-16-22(26(3,4)5)8-11-25(19)31-18-24(30)17-27-12-14-28(15-13-27)23-9-6-21(7-10-23)20(2)29/h6-11,16,24,30H,12-15,17-18H2,1-5H3