(1S,6R)-6-(2-pyridin-4-ylethylcarbamoyl)cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6R)-6-(2-pyridin-4-ylethylcarbamoyl)cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6R)-6-[2-(4-pyridyl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-6-[oxo-(2-pyridin-4-ylethylamino)methyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6R)-6-(2-pyridin-4-ylethylcarbamoyl)cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-6-[2-(4-pyridyl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylate Formula: C15H17N2O3- MolecularWeight: 273.30708

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NCCC2=CC=NC=C2)C(=O)[O-]

Isomeric SMILES

C1C=CC[C@@H]([C@@H]1C(=O)NCCC2=CC=NC=C2)C(=O)[O-]

InChI

InChI=1S/C15H18N2O3/c18-14(12-3-1-2-4-13(12)15(19)20)17-10-7-11-5-8-16-9-6-11/h1-2,5-6,8-9,12-13H,3-4,7,10H2,(H,17,18)(H,19,20)/p-1/t12-,13+/m1/s1