tert-butyl (2S,6S)-3-oxidanylidene-2,4,6-tris(phenylmethyl)piperazine-1-carboxylate

Systemtic Name: tert-butyl (2S,6S)-3-oxidanylidene-2,4,6-tris(phenylmethyl)piperazine-1-carboxylate Openeye Name: tert-butyl (2S,6S)-2,4,6-tribenzyl-3-oxo-piperazine-1-carboxylate CAS Name: (2S,6S)-3-oxo-2,4,6-tris(phenylmethyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,6S)-2,4,6-tribenzyl-3-oxopiperazine-1-carboxylate Traditional Name: (2S,6S)-2,4,6-tribenzyl-3-keto-piperazine-1-carboxylic acid tert-butyl ester Formula: C30H34N2O3 MolecularWeight: 470.60256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(CN(C(=O)C1CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1[C@H](CN(C(=O)[C@@H]1CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C30H34N2O3/c1-30(2,3)35-29(34)32-26(19-23-13-7-4-8-14-23)22-31(21-25-17-11-6-12-18-25)28(33)27(32)20-24-15-9-5-10-16-24/h4-18,26-27H,19-22H2,1-3H3/t26-,27-/m0/s1