(phenylmethyl) 6-chloranyl-6-cyano-4-ethyl-2-azabicyclo[2.2.2]oct-7-ene-2-carboxylate

Systemtic Name: (phenylmethyl) 6-chloranyl-6-cyano-4-ethyl-2-azabicyclo[2.2.2]oct-7-ene-2-carboxylate Openeye Name: benzyl 6-chloro-6-cyano-4-ethyl-2-azabicyclo[2.2.2]oct-7-ene-2-carboxylate CAS Name: 6-chloro-6-cyano-4-ethyl-2-azabicyclo[2.2.2]oct-7-ene-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-chloro-6-cyano-4-ethyl-2-azabicyclo[2.2.2]oct-7-ene-2-carboxylate Traditional Name: 6-chloro-6-cyano-4-ethyl-2-azabicyclo[2.2.2]oct-7-ene-2-carboxylic acid benzyl ester Formula: C18H19ClN2O2 MolecularWeight: 330.80866

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Descriptors Computed from Structure

Canonical SMILES:

CCC12CC(C(C=C1)N(C2)C(=O)OCC3=CC=CC=C3)(C#N)Cl

Isomeric SMILES

CCC12CC(C(C=C1)N(C2)C(=O)OCC3=CC=CC=C3)(C#N)Cl

InChI

InChI=1S/C18H19ClN2O2/c1-2-17-9-8-15(18(19,11-17)12-20)21(13-17)16(22)23-10-14-6-4-3-5-7-14/h3-9,15H,2,10-11,13H2,1H3