(2S)-3-methyl-1-piperazin-1-yl-2-(2,3,6-trimethylphenoxy)butan-1-one

Systemtic Name: (2S)-3-methyl-1-piperazin-1-yl-2-(2,3,6-trimethylphenoxy)butan-1-one Openeye Name: (2S)-3-methyl-1-piperazin-1-yl-2-(2,3,6-trimethylphenoxy)butan-1-one CAS Name: (2S)-3-methyl-1-(1-piperazinyl)-2-(2,3,6-trimethylphenoxy)-1-butanone IUPAC Name: (2S)-3-methyl-1-piperazin-1-yl-2-(2,3,6-trimethylphenoxy)butan-1-one Traditional Name: (2S)-3-methyl-1-piperazino-2-(2,3,6-trimethylphenoxy)butan-1-one Formula: C18H28N2O2 MolecularWeight: 304.42712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O2/c1-12(2)16(18(21)20-10-8-19-9-11-20)22-17-14(4)7-6-13(3)15(17)5/h6-7,12,16,19H,8-11H2,1-5H3/t16-/m0/s1