methyl (1R,5R,6R)-3,6-diphenyl-2-oxa-4-azabicyclo[3.3.1]non-3-ene-5-carboxylate

Systemtic Name: methyl (1R,5R,6R)-3,6-diphenyl-2-oxa-4-azabicyclo[3.3.1]non-3-ene-5-carboxylate Openeye Name: methyl (1R,5R,6R)-3,6-diphenyl-2-oxa-4-azabicyclo[3.3.1]non-3-ene-5-carboxylate CAS Name: (1R,5R,6R)-3,6-diphenyl-2-oxa-4-azabicyclo[3.3.1]non-3-ene-5-carboxylic acid methyl ester IUPAC Name: methyl (1R,5R,6R)-3,6-diphenyl-2-oxa-4-azabicyclo[3.3.1]non-3-ene-5-carboxylate Traditional Name: (1R,5R,6R)-3,6-diphenyl-2-oxa-4-azabicyclo[3.3.1]non-3-ene-5-carboxylic acid methyl ester Formula: C21H21NO3 MolecularWeight: 335.39634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C12CC(CCC1C3=CC=CC=C3)OC(=N2)C4=CC=CC=C4

Isomeric SMILES

COC(=O)[C@@]12C[C@@H](CC[C@@H]1C3=CC=CC=C3)OC(=N2)C4=CC=CC=C4

InChI

InChI=1S/C21H21NO3/c1-24-20(23)21-14-17(12-13-18(21)15-8-4-2-5-9-15)25-19(22-21)16-10-6-3-7-11-16/h2-11,17-18H,12-14H2,1H3/t17-,18-,21-/m1/s1