(phenylmethyl) (1S,5R)-4-propanoyl-6-azabicyclo[3.2.2]non-3-ene-6-carboxylate

Systemtic Name: (phenylmethyl) (1S,5R)-4-propanoyl-6-azabicyclo[3.2.2]non-3-ene-6-carboxylate Openeye Name: benzyl (1S,5R)-4-propanoyl-6-azabicyclo[3.2.2]non-3-ene-6-carboxylate CAS Name: (1S,5R)-4-(1-oxopropyl)-6-azabicyclo[3.2.2]non-3-ene-6-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (1S,5R)-4-propanoyl-6-azabicyclo[3.2.2]non-3-ene-6-carboxylate Traditional Name: (1S,5R)-4-propionyl-6-azabicyclo[3.2.2]non-3-ene-6-carboxylic acid benzyl ester Formula: C19H23NO3 MolecularWeight: 313.39082

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CCC2CCC1N(C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCC(=O)C1=CC[C@@H]2CC[C@H]1N(C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C19H23NO3/c1-2-18(21)16-10-8-14-9-11-17(16)20(12-14)19(22)23-13-15-6-4-3-5-7-15/h3-7,10,14,17H,2,8-9,11-13H2,1H3/t14-,17-/m1/s1