tert-butyl (2S)-2-[(6-chloranylpyridin-3-yl)carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[(6-chloranylpyridin-3-yl)carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[(6-chloro-3-pyridyl)carbamoyl]piperidine-1-carboxylate CAS Name: (2S)-2-[[(6-chloro-3-pyridinyl)amino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[(6-chloropyridin-3-yl)carbamoyl]piperidine-1-carboxylate Traditional Name: (2S)-2-[(6-chloro-3-pyridyl)carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C16H22ClN3O3 MolecularWeight: 339.81718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCCC1C(=O)NC2=CN=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)NC2=CN=C(C=C2)Cl

InChI

InChI=1S/C16H22ClN3O3/c1-16(2,3)23-15(22)20-9-5-4-6-12(20)14(21)19-11-7-8-13(17)18-10-11/h7-8,10,12H,4-6,9H2,1-3H3,(H,19,21)/t12-/m0/s1