methyl 8-[(E)-2-oxidanylidene-4-phenyl-but-3-enyl]-3-(phenylcarbonyloxy)-8-azabicyclo[3.2.1]octane-4-carboxylate

Systemtic Name: methyl 8-[(E)-2-oxidanylidene-4-phenyl-but-3-enyl]-3-(phenylcarbonyloxy)-8-azabicyclo[3.2.1]octane-4-carboxylate Openeye Name: methyl 3-benzoyloxy-8-[(E)-2-oxo-4-phenyl-but-3-enyl]-8-azabicyclo[3.2.1]octane-4-carboxylate CAS Name: 3-benzoyloxy-8-[(E)-2-oxo-4-phenylbut-3-enyl]-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester IUPAC Name: methyl 3-benzoyloxy-8-[(E)-2-oxo-4-phenylbut-3-enyl]-8-azabicyclo[3.2.1]octane-4-carboxylate Traditional Name: 3-benzoyloxy-8-[(E)-2-keto-4-phenyl-but-3-enyl]-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester Formula: C26H27NO5 MolecularWeight: 433.49628

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C2CCC(N2CC(=O)C=CC3=CC=CC=C3)CC1OC(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1C2CCC(N2CC(=O)/C=C/C3=CC=CC=C3)CC1OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H27NO5/c1-31-26(30)24-22-15-13-20(16-23(24)32-25(29)19-10-6-3-7-11-19)27(22)17-21(28)14-12-18-8-4-2-5-9-18/h2-12,14,20,22-24H,13,15-17H2,1H3/b14-12+