(2S)-3-methyl-1-piperazin-1-yl-2-(3-propan-2-ylphenoxy)butan-1-one

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O2/c1-13(2)15-6-5-7-16(12-15)22-17(14(3)4)18(21)20-10-8-19-9-11-20/h5-7,12-14,17,19H,8-11H2,1-4H3/t17-/m0/s1