tert-butyl (3S)-3-[4-(phenylcarbonyl)piperazin-1-yl]carbonylpiperidine-1-carboxylate

Systemtic Name: tert-butyl (3S)-3-[4-(phenylcarbonyl)piperazin-1-yl]carbonylpiperidine-1-carboxylate Openeye Name: tert-butyl (3S)-3-(4-benzoylpiperazine-1-carbonyl)piperidine-1-carboxylate CAS Name: (3S)-3-[(4-benzoyl-1-piperazinyl)-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-(4-benzoylpiperazine-1-carbonyl)piperidine-1-carboxylate Traditional Name: (3S)-3-(4-benzoylpiperazine-1-carbonyl)piperidine-1-carboxylic acid tert-butyl ester Formula: C22H31N3O4 MolecularWeight: 401.49924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O4/c1-22(2,3)29-21(28)25-11-7-10-18(16-25)20(27)24-14-12-23(13-15-24)19(26)17-8-5-4-6-9-17/h4-6,8-9,18H,7,10-16H2,1-3H3/t18-/m0/s1