ethyl (1R,2S,5S,6R)-2-acetyloxy-6-ethenyl-3-ethoxy-6-methyl-5-phenyl-4-azabicyclo[3.2.0]hept-3-ene-1-carboxylate

Systemtic Name: ethyl (1R,2S,5S,6R)-2-acetyloxy-6-ethenyl-3-ethoxy-6-methyl-5-phenyl-4-azabicyclo[3.2.0]hept-3-ene-1-carboxylate Openeye Name: ethyl (1R,2S,5S,6R)-2-acetoxy-3-ethoxy-6-methyl-5-phenyl-6-vinyl-4-azabicyclo[3.2.0]hept-3-ene-1-carboxylate CAS Name: (1R,2S,5S,6R)-2-acetyloxy-6-ethenyl-3-ethoxy-6-methyl-5-phenyl-4-azabicyclo[3.2.0]hept-3-ene-1-carboxylic acid ethyl ester IUPAC Name: ethyl (1R,2S,5S,6R)-2-acetyloxy-6-ethenyl-3-ethoxy-6-methyl-5-phenyl-4-azabicyclo[3.2.0]hept-3-ene-1-carboxylate Traditional Name: (1R,2S,5S,6R)-2-acetoxy-3-ethoxy-6-methyl-5-phenyl-6-vinyl-4-azabicyclo[3.2.0]hept-3-ene-1-carboxylic acid ethyl ester Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC2(C(CC2(C1OC(=O)C)C(=O)OCC)(C)C=C)C3=CC=CC=C3

Isomeric SMILES

CCOC1=N[C@@]2([C@@](C[C@@]2([C@@H]1OC(=O)C)C(=O)OCC)(C)C=C)C3=CC=CC=C3

InChI

InChI=1S/C22H27NO5/c1-6-20(5)14-21(19(25)27-8-3)17(28-15(4)24)18(26-7-2)23-22(20,21)16-12-10-9-11-13-16/h6,9-13,17H,1,7-8,14H2,2-5H3/t17-,20+,21-,22-/m1/s1