O1-tert-butyl O3-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] (3S)-piperidine-1,3-dicarboxylate

Systemtic Name: O1-tert-butyl O3-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] (3S)-piperidine-1,3-dicarboxylate Openeye Name: O1-tert-butyl O3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] (3S)-piperidine-1,3-dicarboxylate CAS Name: (3S)-piperidine-1,3-dicarboxylic acid O1-tert-butyl ester O3-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: 1-O-tert-butyl 3-O-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] (3S)-piperidine-1,3-dicarboxylate Traditional Name: (3S)-piperidine-1,3-dicarboxylic acid O1-tert-butyl ester O3-[2-keto-2-(4-phenylpiperazino)ethyl] ester Formula: C23H33N3O5 MolecularWeight: 431.52522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@@H](C1)C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C23H33N3O5/c1-23(2,3)31-22(29)26-11-7-8-18(16-26)21(28)30-17-20(27)25-14-12-24(13-15-25)19-9-5-4-6-10-19/h4-6,9-10,18H,7-8,11-17H2,1-3H3/t18-/m0/s1