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

Systemtic Name: 1-[4-[(2S)-3-(4-tert-butyl-2-methyl-phenoxy)-2-oxidanyl-propyl]piperazin-1-yl]-2-methyl-propan-1-one Openeye Name: 1-[4-[(2S)-3-(4-tert-butyl-2-methyl-phenoxy)-2-hydroxy-propyl]piperazin-1-yl]-2-methyl-propan-1-one CAS Name: 1-[4-[(2S)-3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-1-piperazinyl]-2-methyl-1-propanone IUPAC Name: 1-[4-[(2S)-3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-2-methylpropan-1-one Traditional Name: 1-[4-[(2S)-3-(4-tert-butyl-2-methyl-phenoxy)-2-hydroxy-propyl]piperazino]-2-methyl-propan-1-one Formula: C22H36N2O3 MolecularWeight: 376.53284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H36N2O3/c1-16(2)21(26)24-11-9-23(10-12-24)14-19(25)15-27-20-8-7-18(13-17(20)3)22(4,5)6/h7-8,13,16,19,25H,9-12,14-15H2,1-6H3/t19-/m0/s1