tert-butyl (2S)-4-(3-chlorophenyl)-2-[2-(2-cyano-5-methoxycarbonyl-phenoxy)ethyl]-5-oxidanylidene-piperazine-1-carboxylate

Systemtic Name: tert-butyl (2S)-4-(3-chlorophenyl)-2-[2-(2-cyano-5-methoxycarbonyl-phenoxy)ethyl]-5-oxidanylidene-piperazine-1-carboxylate Openeye Name: tert-butyl (2S)-4-(3-chlorophenyl)-2-[2-(2-cyano-5-methoxycarbonyl-phenoxy)ethyl]-5-oxo-piperazine-1-carboxylate CAS Name: (2S)-4-(3-chlorophenyl)-2-[2-(2-cyano-5-methoxycarbonylphenoxy)ethyl]-5-oxo-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-4-(3-chlorophenyl)-2-[2-(2-cyano-5-methoxycarbonylphenoxy)ethyl]-5-oxopiperazine-1-carboxylate Traditional Name: (2S)-2-[2-(5-carbomethoxy-2-cyano-phenoxy)ethyl]-4-(3-chlorophenyl)-5-keto-piperazine-1-carboxylic acid tert-butyl ester Formula: C26H28ClN3O6 MolecularWeight: 513.97002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(=O)N(CC1CCOC2=C(C=CC(=C2)C(=O)OC)C#N)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(=O)N(C[C@@H]1CCOC2=C(C=CC(=C2)C(=O)OC)C#N)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C26H28ClN3O6/c1-26(2,3)36-25(33)30-16-23(31)29(20-7-5-6-19(27)13-20)15-21(30)10-11-35-22-12-17(24(32)34-4)8-9-18(22)14-28/h5-9,12-13,21H,10-11,15-16H2,1-4H3/t21-/m0/s1