methyl (1S,4S,5S)-5-benzamidobicyclo[2.2.2]oct-2-ene-5-carboxylate

Systemtic Name: methyl (1S,4S,5S)-5-benzamidobicyclo[2.2.2]oct-2-ene-5-carboxylate Openeye Name: methyl (1S,4S,5S)-5-benzamidobicyclo[2.2.2]oct-2-ene-5-carboxylate CAS Name: (1S,4S,5S)-5-benzamido-5-bicyclo[2.2.2]oct-2-enecarboxylic acid methyl ester IUPAC Name: methyl (1S,4S,5S)-5-benzamidobicyclo[2.2.2]oct-2-ene-5-carboxylate Traditional Name: (1S,4S,5S)-5-benzamidobicyclo[2.2.2]oct-2-ene-5-carboxylic acid methyl ester Formula: C17H19NO3 MolecularWeight: 285.33766

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC2CCC1C=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@@]1(C[C@@H]2CC[C@H]1C=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H19NO3/c1-21-16(20)17(11-12-7-9-14(17)10-8-12)18-15(19)13-5-3-2-4-6-13/h2-7,9,12,14H,8,10-11H2,1H3,(H,18,19)/t12-,14+,17-/m0/s1