tert-butyl N-[(1R,2R)-2-(6-chloranylpyridin-3-yl)-4-oxidanylidene-cyclohexyl]carbamate

Systemtic Name: tert-butyl N-[(1R,2R)-2-(6-chloranylpyridin-3-yl)-4-oxidanylidene-cyclohexyl]carbamate Openeye Name: tert-butyl N-[(1R,2R)-2-(6-chloro-3-pyridyl)-4-oxo-cyclohexyl]carbamate CAS Name: N-[(1R,2R)-2-(6-chloro-3-pyridinyl)-4-oxocyclohexyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(1R,2R)-2-(6-chloropyridin-3-yl)-4-oxocyclohexyl]carbamate Traditional Name: N-[(1R,2R)-2-(6-chloro-3-pyridyl)-4-keto-cyclohexyl]carbamic acid tert-butyl ester Formula: C16H21ClN2O3 MolecularWeight: 324.80254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCC(=O)CC1C2=CN=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H]1CCC(=O)C[C@@H]1C2=CN=C(C=C2)Cl

InChI

InChI=1S/C16H21ClN2O3/c1-16(2,3)22-15(21)19-13-6-5-11(20)8-12(13)10-4-7-14(17)18-9-10/h4,7,9,12-13H,5-6,8H2,1-3H3,(H,19,21)/t12-,13-/m1/s1