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

Systemtic Name: 1-[4-[(2S)-3-(4-tert-butyl-2-methyl-phenoxy)-2-oxidanyl-propyl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[(2S)-3-(4-tert-butyl-2-methyl-phenoxy)-2-hydroxy-propyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[(2S)-3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[(2S)-3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[(2S)-3-(4-tert-butyl-2-methyl-phenoxy)-2-hydroxy-propyl]piperazino]ethanone Formula: C20H32N2O3 MolecularWeight: 348.47968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)C)OC[C@H](CN2CCN(CC2)C(=O)C)O

InChI

InChI=1S/C20H32N2O3/c1-15-12-17(20(3,4)5)6-7-19(15)25-14-18(24)13-21-8-10-22(11-9-21)16(2)23/h6-7,12,18,24H,8-11,13-14H2,1-5H3/t18-/m0/s1