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

Systemtic Name: ethyl (1R,4S,5R)-5,7-diacetyloxy-4-ethoxy-5-methyl-2-phenyl-3-azabicyclo[2.2.1]hept-2-ene-1-carboxylate Openeye Name: ethyl (1R,4S,5R)-5,7-diacetoxy-4-ethoxy-5-methyl-2-phenyl-3-azabicyclo[2.2.1]hept-2-ene-1-carboxylate CAS Name: (1R,4S,5R)-5,7-diacetyloxy-4-ethoxy-5-methyl-2-phenyl-3-azabicyclo[2.2.1]hept-2-ene-1-carboxylic acid ethyl ester IUPAC Name: ethyl (1R,4S,5R)-5,7-diacetyloxy-4-ethoxy-5-methyl-2-phenyl-3-azabicyclo[2.2.1]hept-2-ene-1-carboxylate Traditional Name: (1R,4S,5R)-5,7-diacetoxy-4-ethoxy-5-methyl-2-phenyl-3-azabicyclo[2.2.1]hept-2-ene-1-carboxylic acid ethyl ester Formula: C22H27NO7 MolecularWeight: 417.45228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO7/c1-6-27-19(26)21-13-20(5,30-15(4)25)22(28-7-2,18(21)29-14(3)24)23-17(21)16-11-9-8-10-12-16/h8-12,18H,6-7,13H2,1-5H3/t18?,20-,21-,22+/m1/s1