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

Systemtic Name: tert-butyl (3S)-2-oxidanylidene-3-[(1-propylimidazol-4-yl)methyl]piperidine-1-carboxylate Openeye Name: tert-butyl (3S)-2-oxo-3-[(1-propylimidazol-4-yl)methyl]piperidine-1-carboxylate CAS Name: (3S)-2-oxo-3-[(1-propyl-4-imidazolyl)methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-2-oxo-3-[(1-propylimidazol-4-yl)methyl]piperidine-1-carboxylate Traditional Name: (3S)-2-keto-3-[(1-propylimidazol-4-yl)methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C17H27N3O3 MolecularWeight: 321.41458

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(N=C1)CC2CCCN(C2=O)C(=O)OC(C)(C)C

Isomeric SMILES

CCCN1C=C(N=C1)C[C@@H]2CCCN(C2=O)C(=O)OC(C)(C)C

InChI

InChI=1S/C17H27N3O3/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/h11-13H,5-10H2,1-4H3/t13-/m0/s1