ethyl 1-[1,3-dimethyl-2-oxidanylidene-6-(propanoylamino)benzimidazol-5-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[1,3-dimethyl-2-oxidanylidene-6-(propanoylamino)benzimidazol-5-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[1,3-dimethyl-2-oxo-6-(propanoylamino)benzimidazol-5-yl]piperidine-4-carboxylate CAS Name: 1-[1,3-dimethyl-2-oxo-6-(1-oxopropylamino)-5-benzimidazolyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1,3-dimethyl-2-oxo-6-(propanoylamino)benzimidazol-5-yl]piperidine-4-carboxylate Traditional Name: 1-(2-keto-1,3-dimethyl-6-propionamido-benzimidazol-5-yl)isonipecotic acid ethyl ester Formula: C20H28N4O4 MolecularWeight: 388.46072

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=C2C(=C1)N(C(=O)N2C)C)N3CCC(CC3)C(=O)OCC

Isomeric SMILES

CCC(=O)NC1=C(C=C2C(=C1)N(C(=O)N2C)C)N3CCC(CC3)C(=O)OCC

InChI

InChI=1S/C20H28N4O4/c1-5-18(25)21-14-11-16-17(23(4)20(27)22(16)3)12-15(14)24-9-7-13(8-10-24)19(26)28-6-2/h11-13H,5-10H2,1-4H3,(H,21,25)