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

Systemtic Name: [(2R)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] (2S)-2-benzamidopropanoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] (2S)-2-benzamidopropanoate CAS Name: (2S)-2-benzamidopropanoic 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-benzamidopropanoate Traditional Name: (2S)-2-benzamidopropionic acid [(1R)-2-keto-1-methyl-2-(4-phenylpiperazino)ethyl] ester Formula: C23H27N3O4 MolecularWeight: 409.47818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(C)C(=O)N1CCN(CC1)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)O[C@H](C)C(=O)N1CCN(CC1)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H27N3O4/c1-17(24-21(27)19-9-5-3-6-10-19)23(29)30-18(2)22(28)26-15-13-25(14-16-26)20-11-7-4-8-12-20/h3-12,17-18H,13-16H2,1-2H3,(H,24,27)/t17-,18+/m0/s1