tert-butyl (3E,6S)-3-[(4-methoxyphenyl)methylidene]-2,5-bis(oxidanylidene)-6-propan-2-yl-piperazine-1-carboxylate

Systemtic Name: tert-butyl (3E,6S)-3-[(4-methoxyphenyl)methylidene]-2,5-bis(oxidanylidene)-6-propan-2-yl-piperazine-1-carboxylate Openeye Name: tert-butyl (2S,5E)-2-isopropyl-5-[(4-methoxyphenyl)methylene]-3,6-dioxo-piperazine-1-carboxylate CAS Name: (3E,6S)-3-[(4-methoxyphenyl)methylidene]-2,5-dioxo-6-propan-2-yl-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3E,6S)-3-[(4-methoxyphenyl)methylidene]-2,5-dioxo-6-propan-2-ylpiperazine-1-carboxylate Traditional Name: (2S,5E)-2-isopropyl-3,6-diketo-5-p-anisylidene-piperazine-1-carboxylic acid tert-butyl ester Formula: C20H26N2O5 MolecularWeight: 374.43084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O5/c1-12(2)16-17(23)21-15(11-13-7-9-14(26-6)10-8-13)18(24)22(16)19(25)27-20(3,4)5/h7-12,16H,1-6H3,(H,21,23)/b15-11+/t16-/m0/s1