5-chloranyl-6-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]pyridine-3-carboxylate

Systemtic Name: 5-chloranyl-6-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]pyridine-3-carboxylate Openeye Name: 5-chloro-6-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]pyridine-3-carboxylate CAS Name: 5-chloro-6-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-3-pyridinecarboxylate IUPAC Name: 5-chloro-6-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]pyridine-3-carboxylate Traditional Name: 5-chloro-6-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]nicotinate Formula: C14H18ClN2O2- MolecularWeight: 281.75792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC2=C(C=C(C=N2)C(=O)[O-])Cl

Isomeric SMILES

C[C@H]1CCC[C@@H]([C@@H]1C)NC2=C(C=C(C=N2)C(=O)[O-])Cl

InChI

InChI=1S/C14H19ClN2O2/c1-8-4-3-5-12(9(8)2)17-13-11(15)6-10(7-16-13)14(18)19/h6-9,12H,3-5H2,1-2H3,(H,16,17)(H,18,19)/p-1/t8-,9+,12-/m0/s1