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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC2=C(C=C(C=N2)C(=O)[O-])Cl)C(C)C

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)OC2=C(C=C(C=N2)C(=O)[O-])Cl)C(C)C

InChI

InChI=1S/C16H22ClNO3/c1-9(2)12-5-4-10(3)6-14(12)21-15-13(17)7-11(8-18-15)16(19)20/h7-10,12,14H,4-6H2,1-3H3,(H,19,20)/p-1/t10-,12+,14-/m0/s1