ethenyl (1R,6R)-5-pyridin-4-yl-9-azabicyclo[4.2.1]non-4-ene-9-carboxylate

Systemtic Name: ethenyl (1R,6R)-5-pyridin-4-yl-9-azabicyclo[4.2.1]non-4-ene-9-carboxylate Openeye Name: vinyl (1R,6R)-5-(4-pyridyl)-9-azabicyclo[4.2.1]non-4-ene-9-carboxylate CAS Name: (1R,6R)-5-pyridin-4-yl-9-azabicyclo[4.2.1]non-4-ene-9-carboxylic acid ethenyl ester IUPAC Name: ethenyl (1R,6R)-5-pyridin-4-yl-9-azabicyclo[4.2.1]non-4-ene-9-carboxylate Traditional Name: (1R,6R)-5-(4-pyridyl)-9-azabicyclo[4.2.1]non-4-ene-9-carboxylic acid vinyl ester Formula: C16H18N2O2 MolecularWeight: 270.32632

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Descriptors Computed from Structure

Canonical SMILES:

C=COC(=O)N1C2CCC=C(C1CC2)C3=CC=NC=C3

Isomeric SMILES

C=COC(=O)N1[C@@H]2CCC=C([C@H]1CC2)C3=CC=NC=C3

InChI

InChI=1S/C16H18N2O2/c1-2-20-16(19)18-13-4-3-5-14(15(18)7-6-13)12-8-10-17-11-9-12/h2,5,8-11,13,15H,1,3-4,6-7H2/t13-,15-/m1/s1