[(2S)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] (2S)-2-(4-fluoranylphenoxy)propanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] (2S)-2-(4-fluoranylphenoxy)propanoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] (2S)-2-(4-fluorophenoxy)propanoate CAS Name: (2S)-2-(4-fluorophenoxy)propanoic acid [(2S)-1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] (2S)-2-(4-fluorophenoxy)propanoate Traditional Name: (2S)-2-(4-fluorophenoxy)propionic acid [(1S)-2-keto-1-methyl-2-(4-phenylpiperazino)ethyl] ester Formula: C22H25FN2O4 MolecularWeight: 400.443303

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)OC(=O)C(C)OC3=CC=C(C=C3)F

Isomeric SMILES

C[C@@H](C(=O)N1CCN(CC1)C2=CC=CC=C2)OC(=O)[C@H](C)OC3=CC=C(C=C3)F

InChI

InChI=1S/C22H25FN2O4/c1-16(29-22(27)17(2)28-20-10-8-18(23)9-11-20)21(26)25-14-12-24(13-15-25)19-6-4-3-5-7-19/h3-11,16-17H,12-15H2,1-2H3/t16-,17-/m0/s1