(2S)-2-(2-tert-butyl-5-methyl-phenoxy)-1-piperazin-1-yl-propan-1-one

Systemtic Name: (2S)-2-(2-tert-butyl-5-methyl-phenoxy)-1-piperazin-1-yl-propan-1-one Openeye Name: (2S)-2-(2-tert-butyl-5-methyl-phenoxy)-1-piperazin-1-yl-propan-1-one CAS Name: (2S)-2-(2-tert-butyl-5-methylphenoxy)-1-(1-piperazinyl)-1-propanone IUPAC Name: (2S)-2-(2-tert-butyl-5-methylphenoxy)-1-piperazin-1-ylpropan-1-one Traditional Name: (2S)-2-(2-tert-butyl-5-methyl-phenoxy)-1-piperazino-propan-1-one Formula: C18H28N2O2 MolecularWeight: 304.42712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)(C)C)OC(C)C(=O)N2CCNCC2

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)(C)C)O[C@@H](C)C(=O)N2CCNCC2

InChI

InChI=1S/C18H28N2O2/c1-13-6-7-15(18(3,4)5)16(12-13)22-14(2)17(21)20-10-8-19-9-11-20/h6-7,12,14,19H,8-11H2,1-5H3/t14-/m0/s1