tert-butyl (2R)-2-[2-cyano-2-(1,3-dimethylbenzimidazol-2-ylidene)ethanoyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2R)-2-[2-cyano-2-(1,3-dimethylbenzimidazol-2-ylidene)ethanoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2R)-2-[2-cyano-2-(1,3-dimethylbenzimidazol-2-ylidene)acetyl]pyrrolidine-1-carboxylate CAS Name: (2R)-2-[2-cyano-2-(1,3-dimethyl-2-benzimidazolylidene)-1-oxoethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R)-2-[2-cyano-2-(1,3-dimethylbenzimidazol-2-ylidene)acetyl]pyrrolidine-1-carboxylate Traditional Name: (2R)-2-[2-cyano-2-(1,3-dimethylbenzimidazol-2-ylidene)acetyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=O)C(=C2N(C3=CC=CC=C3N2C)C)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)C(=C2N(C3=CC=CC=C3N2C)C)C#N

InChI

InChI=1S/C21H26N4O3/c1-21(2,3)28-20(27)25-12-8-11-17(25)18(26)14(13-22)19-23(4)15-9-6-7-10-16(15)24(19)5/h6-7,9-10,17H,8,11-12H2,1-5H3/t17-/m1/s1