O1-tert-butyl O2-[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-pyrrolidine-1,2-dicarboxylate

Systemtic Name: O1-tert-butyl O2-[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-pyrrolidine-1,2-dicarboxylate Openeye Name: O1-tert-butyl O2-[2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl] (2S)-pyrrolidine-1,2-dicarboxylate CAS Name: (2S)-pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: 1-O-tert-butyl 2-O-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] (2S)-pyrrolidine-1,2-dicarboxylate Traditional Name: (2S)-pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-[2-(3-chloro-4-cyano-anilino)-2-keto-ethyl] ester Formula: C19H22ClN3O5 MolecularWeight: 407.84808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=O)OCC(=O)NC2=CC(=C(C=C2)C#N)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)OCC(=O)NC2=CC(=C(C=C2)C#N)Cl

InChI

InChI=1S/C19H22ClN3O5/c1-19(2,3)28-18(26)23-8-4-5-15(23)17(25)27-11-16(24)22-13-7-6-12(10-21)14(20)9-13/h6-7,9,15H,4-5,8,11H2,1-3H3,(H,22,24)/t15-/m0/s1