ethyl (1R,4R,5R)-7-acetyloxy-5-ethenyl-4-ethoxy-5-methyl-2-phenyl-3-azabicyclo[2.2.1]hept-2-ene-1-carboxylate

Systemtic Name: ethyl (1R,4R,5R)-7-acetyloxy-5-ethenyl-4-ethoxy-5-methyl-2-phenyl-3-azabicyclo[2.2.1]hept-2-ene-1-carboxylate Openeye Name: ethyl (1R,4R,5R)-7-acetoxy-4-ethoxy-5-methyl-2-phenyl-5-vinyl-3-azabicyclo[2.2.1]hept-2-ene-1-carboxylate CAS Name: (1R,4R,5R)-7-acetyloxy-5-ethenyl-4-ethoxy-5-methyl-2-phenyl-3-azabicyclo[2.2.1]hept-2-ene-1-carboxylic acid ethyl ester IUPAC Name: ethyl (1R,4R,5R)-7-acetyloxy-5-ethenyl-4-ethoxy-5-methyl-2-phenyl-3-azabicyclo[2.2.1]hept-2-ene-1-carboxylate Traditional Name: (1R,4R,5R)-7-acetoxy-4-ethoxy-5-methyl-2-phenyl-5-vinyl-3-azabicyclo[2.2.1]hept-2-ene-1-carboxylic acid ethyl ester Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C12CC(C(C1OC(=O)C)(N=C2C3=CC=CC=C3)OCC)(C)C=C

Isomeric SMILES

CCOC(=O)[C@@]12C[C@]([C@@](C1OC(=O)C)(N=C2C3=CC=CC=C3)OCC)(C)C=C

InChI

InChI=1S/C22H27NO5/c1-6-20(5)14-21(19(25)26-7-2)17(16-12-10-9-11-13-16)23-22(20,27-8-3)18(21)28-15(4)24/h6,9-13,18H,1,7-8,14H2,2-5H3/t18?,20-,21+,22-/m0/s1