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

Systemtic Name: [(2R)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] (2S)-2-(4-cyanophenoxy)propanoate CAS Name: (2S)-2-(4-cyanophenoxy)propanoic acid [(2R)-1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate Traditional Name: (2S)-2-(4-cyanophenoxy)propionic acid [(1R)-2-keto-1-methyl-2-(4-phenylpiperazino)ethyl] ester Formula: C23H25N3O4 MolecularWeight: 407.4623

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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)C#N

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O4/c1-17(30-23(28)18(2)29-21-10-8-19(16-24)9-11-21)22(27)26-14-12-25(13-15-26)20-6-4-3-5-7-20/h3-11,17-18H,12-15H2,1-2H3/t17-,18+/m1/s1