tert-butyl 2-[(2S)-3-oxidanylidene-4-phenethyl-piperazin-2-yl]ethanoate

Systemtic Name: tert-butyl 2-[(2S)-3-oxidanylidene-4-phenethyl-piperazin-2-yl]ethanoate Openeye Name: tert-butyl 2-[(2S)-3-oxo-4-phenethyl-piperazin-2-yl]acetate CAS Name: 2-[(2S)-3-oxo-4-phenethyl-2-piperazinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(2S)-3-oxo-4-phenethylpiperazin-2-yl]acetate Traditional Name: 2-[(2S)-3-keto-4-phenethyl-piperazin-2-yl]acetic acid tert-butyl ester Formula: C18H26N2O3 MolecularWeight: 318.41064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC1C(=O)N(CCN1)CCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)C[C@H]1C(=O)N(CCN1)CCC2=CC=CC=C2

InChI

InChI=1S/C18H26N2O3/c1-18(2,3)23-16(21)13-15-17(22)20(12-10-19-15)11-9-14-7-5-4-6-8-14/h4-8,15,19H,9-13H2,1-3H3/t15-/m0/s1