tert-butyl (3S,6Z)-4-ethanoyl-2,5-bis(oxidanylidene)-6-(phenylmethylidene)-3-propan-2-yl-piperazine-1-carboxylate

Systemtic Name: tert-butyl (3S,6Z)-4-ethanoyl-2,5-bis(oxidanylidene)-6-(phenylmethylidene)-3-propan-2-yl-piperazine-1-carboxylate Openeye Name: tert-butyl (2Z,5S)-4-acetyl-2-benzylidene-5-isopropyl-3,6-dioxo-piperazine-1-carboxylate CAS Name: (3S,6Z)-4-acetyl-2,5-dioxo-6-(phenylmethylene)-3-propan-2-yl-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2Z,5S)-4-acetyl-2-benzylidene-3,6-dioxo-5-propan-2-ylpiperazine-1-carboxylate Traditional Name: (2Z,5S)-4-acetyl-2-benzal-5-isopropyl-3,6-diketo-piperazine-1-carboxylic acid tert-butyl ester Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C(=CC2=CC=CC=C2)C(=O)N1C(=O)C)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)[C@H]1C(=O)N(/C(=C\C2=CC=CC=C2)/C(=O)N1C(=O)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H26N2O5/c1-13(2)17-19(26)23(20(27)28-21(4,5)6)16(18(25)22(17)14(3)24)12-15-10-8-7-9-11-15/h7-13,17H,1-6H3/b16-12-/t17-/m0/s1