3-chloranyl-6-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-pyridine-2-carboxylate

Systemtic Name: 3-chloranyl-6-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-pyridine-2-carboxylate Openeye Name: 3-chloro-6-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]pyridine-2-carboxylate CAS Name: 3-chloro-6-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-pyridinecarboxylate IUPAC Name: 3-chloro-6-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxypyridine-2-carboxylate Traditional Name: 3-chloro-6-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]picolinate Formula: C16H21ClNO3- MolecularWeight: 310.79584

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC2=NC(=C(C=C2)Cl)C(=O)[O-])C(C)C

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)OC2=NC(=C(C=C2)Cl)C(=O)[O-])C(C)C

InChI

InChI=1S/C16H22ClNO3/c1-9(2)11-5-4-10(3)8-13(11)21-14-7-6-12(17)15(18-14)16(19)20/h6-7,9-11,13H,4-5,8H2,1-3H3,(H,19,20)/p-1/t10-,11+,13-/m0/s1