tert-butyl 4-[[1-(2-ethoxy-2-oxidanylidene-ethyl)benzimidazol-2-yl]amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[1-(2-ethoxy-2-oxidanylidene-ethyl)benzimidazol-2-yl]amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[1-(2-ethoxy-2-oxo-ethyl)benzimidazol-2-yl]amino]piperidine-1-carboxylate CAS Name: 4-[[1-(2-ethoxy-2-oxoethyl)-2-benzimidazolyl]amino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[1-(2-ethoxy-2-oxoethyl)benzimidazol-2-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[[1-(2-ethoxy-2-keto-ethyl)benzimidazol-2-yl]amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H30N4O4 MolecularWeight: 402.4873

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC=CC=C2N=C1NC3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)CN1C2=CC=CC=C2N=C1NC3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H30N4O4/c1-5-28-18(26)14-25-17-9-7-6-8-16(17)23-19(25)22-15-10-12-24(13-11-15)20(27)29-21(2,3)4/h6-9,15H,5,10-14H2,1-4H3,(H,22,23)