(phenylmethyl) (1R,5R)-4-propanoyl-7-azabicyclo[3.2.2]nona-3,8-diene-7-carboxylate

Systemtic Name: (phenylmethyl) (1R,5R)-4-propanoyl-7-azabicyclo[3.2.2]nona-3,8-diene-7-carboxylate Openeye Name: benzyl (1R,5R)-4-propanoyl-7-azabicyclo[3.2.2]nona-3,8-diene-7-carboxylate CAS Name: (1R,5R)-4-(1-oxopropyl)-7-azabicyclo[3.2.2]nona-3,8-diene-7-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (1R,5R)-4-propanoyl-7-azabicyclo[3.2.2]nona-3,8-diene-7-carboxylate Traditional Name: (1R,5R)-4-propionyl-7-azabicyclo[3.2.2]nona-3,8-diene-7-carboxylic acid benzyl ester Formula: C19H21NO3 MolecularWeight: 311.37494

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CCC2C=CC1CN2C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCC(=O)C1=CC[C@@H]2C=C[C@H]1CN2C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C19H21NO3/c1-2-18(21)17-11-10-16-9-8-15(17)12-20(16)19(22)23-13-14-6-4-3-5-7-14/h3-9,11,15-16H,2,10,12-13H2,1H3/t15-,16-/m0/s1