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

Systemtic Name: O1-tert-butyl O2-[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-pyrrolidine-1,2-dicarboxylate Openeye Name: O1-tert-butyl O2-[2-(3-chloro-4-methyl-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-methylanilino)-2-oxoethyl] ester IUPAC Name: 1-O-tert-butyl 2-O-[2-(3-chloro-4-methylanilino)-2-oxoethyl] (2S)-pyrrolidine-1,2-dicarboxylate Traditional Name: (2S)-pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-[2-(3-chloro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C19H25ClN2O5 MolecularWeight: 396.8652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2CCCN2C(=O)OC(C)(C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)Cl

InChI

InChI=1S/C19H25ClN2O5/c1-12-7-8-13(10-14(12)20)21-16(23)11-26-17(24)15-6-5-9-22(15)18(25)27-19(2,3)4/h7-8,10,15H,5-6,9,11H2,1-4H3,(H,21,23)/t15-/m0/s1