tert-butyl (2R,5R)-2-(1H-benzimidazol-2-yl)-5-(2-ethoxy-2-oxidanylidene-ethyl)-2,5-dihydropyrrole-1-carboxylate

Systemtic Name: tert-butyl (2R,5R)-2-(1H-benzimidazol-2-yl)-5-(2-ethoxy-2-oxidanylidene-ethyl)-2,5-dihydropyrrole-1-carboxylate Openeye Name: tert-butyl (2R,5R)-2-(1H-benzimidazol-2-yl)-5-(2-ethoxy-2-oxo-ethyl)-2,5-dihydropyrrole-1-carboxylate CAS Name: (2R,5R)-2-(1H-benzimidazol-2-yl)-5-(2-ethoxy-2-oxoethyl)-2,5-dihydropyrrole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R,5R)-2-(1H-benzimidazol-2-yl)-5-(2-ethoxy-2-oxoethyl)-2,5-dihydropyrrole-1-carboxylate Traditional Name: (2R,5R)-2-(1H-benzimidazol-2-yl)-5-(2-ethoxy-2-keto-ethyl)-3-pyrroline-1-carboxylic acid tert-butyl ester Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C=CC(N1C(=O)OC(C)(C)C)C2=NC3=CC=CC=C3N2

Isomeric SMILES

CCOC(=O)C[C@@H]1C=C[C@@H](N1C(=O)OC(C)(C)C)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C20H25N3O4/c1-5-26-17(24)12-13-10-11-16(23(13)19(25)27-20(2,3)4)18-21-14-8-6-7-9-15(14)22-18/h6-11,13,16H,5,12H2,1-4H3,(H,21,22)/t13-,16+/m0/s1