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

Systemtic Name: tert-butyl N-[(1S,3R,4S)-3-(6-chloranylpyridin-3-yl)-4-oxidanyl-cyclohexyl]carbamate Openeye Name: tert-butyl N-[(1S,3R,4S)-3-(6-chloro-3-pyridyl)-4-hydroxy-cyclohexyl]carbamate CAS Name: N-[(1S,3R,4S)-3-(6-chloro-3-pyridinyl)-4-hydroxycyclohexyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(1S,3R,4S)-3-(6-chloropyridin-3-yl)-4-hydroxycyclohexyl]carbamate Traditional Name: N-[(1S,3R,4S)-3-(6-chloro-3-pyridyl)-4-hydroxy-cyclohexyl]carbamic acid tert-butyl ester Formula: C16H23ClN2O3 MolecularWeight: 326.81842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCC(C(C1)C2=CN=C(C=C2)Cl)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H]1CC[C@@H]([C@H](C1)C2=CN=C(C=C2)Cl)O

InChI

InChI=1S/C16H23ClN2O3/c1-16(2,3)22-15(21)19-11-5-6-13(20)12(8-11)10-4-7-14(17)18-9-10/h4,7,9,11-13,20H,5-6,8H2,1-3H3,(H,19,21)/t11-,12+,13-/m0/s1