tert-butyl (3E)-2-oxidanylidene-3-[(1-propylimidazol-4-yl)methylidene]piperidine-1-carboxylate

Systemtic Name: tert-butyl (3E)-2-oxidanylidene-3-[(1-propylimidazol-4-yl)methylidene]piperidine-1-carboxylate Openeye Name: tert-butyl (3E)-2-oxo-3-[(1-propylimidazol-4-yl)methylene]piperidine-1-carboxylate CAS Name: (3E)-2-oxo-3-[(1-propyl-4-imidazolyl)methylidene]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3E)-2-oxo-3-[(1-propylimidazol-4-yl)methylidene]piperidine-1-carboxylate Traditional Name: (3E)-2-keto-3-[(1-propylimidazol-4-yl)methylene]piperidine-1-carboxylic acid tert-butyl ester Formula: C17H25N3O3 MolecularWeight: 319.3987

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(N=C1)C=C2CCCN(C2=O)C(=O)OC(C)(C)C

Isomeric SMILES

CCCN1C=C(N=C1)/C=C/2\CCCN(C2=O)C(=O)OC(C)(C)C

InChI

InChI=1S/C17H25N3O3/c1-5-8-19-11-14(18-12-19)10-13-7-6-9-20(15(13)21)16(22)23-17(2,3)4/h10-12H,5-9H2,1-4H3/b13-10+