(1R,2R)-2-(pyridin-4-ylmethylcarbamoyl)cyclohexane-1-carboxylate

Systemtic Name: (1R,2R)-2-(pyridin-4-ylmethylcarbamoyl)cyclohexane-1-carboxylate Openeye Name: (1R,2R)-2-(4-pyridylmethylcarbamoyl)cyclohexanecarboxylate CAS Name: (1R,2R)-2-[oxo-(pyridin-4-ylmethylamino)methyl]-1-cyclohexanecarboxylate IUPAC Name: (1R,2R)-2-(pyridin-4-ylmethylcarbamoyl)cyclohexane-1-carboxylate Traditional Name: (1R,2R)-2-(4-pyridylmethylcarbamoyl)cyclohexanecarboxylate Formula: C14H17N2O3- MolecularWeight: 261.29638

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NCC2=CC=NC=C2)C(=O)[O-]

Isomeric SMILES

C1CC[C@H]([C@@H](C1)C(=O)NCC2=CC=NC=C2)C(=O)[O-]

InChI

InChI=1S/C14H18N2O3/c17-13(16-9-10-5-7-15-8-6-10)11-3-1-2-4-12(11)14(18)19/h5-8,11-12H,1-4,9H2,(H,16,17)(H,18,19)/p-1/t11-,12-/m1/s1