tert-butyl 2-[(2-chloranyl-4-cyano-phenyl)methylcarbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[(2-chloranyl-4-cyano-phenyl)methylcarbamoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[(2-chloro-4-cyano-phenyl)methylcarbamoyl]pyrrolidine-1-carboxylate CAS Name: 2-[[(2-chloro-4-cyanophenyl)methylamino]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(2-chloro-4-cyanophenyl)methylcarbamoyl]pyrrolidine-1-carboxylate Traditional Name: 2-[(2-chloro-4-cyano-benzyl)carbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C18H22ClN3O3 MolecularWeight: 363.83858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=O)NCC2=C(C=C(C=C2)C#N)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC1C(=O)NCC2=C(C=C(C=C2)C#N)Cl

InChI

InChI=1S/C18H22ClN3O3/c1-18(2,3)25-17(24)22-8-4-5-15(22)16(23)21-11-13-7-6-12(10-20)9-14(13)19/h6-7,9,15H,4-5,8,11H2,1-3H3,(H,21,23)