phenyl (1S,5R)-4-(4-methylphenyl)-3-phenyl-8-azabicyclo[3.2.1]oct-3-ene-8-carboxylate

Systemtic Name: phenyl (1S,5R)-4-(4-methylphenyl)-3-phenyl-8-azabicyclo[3.2.1]oct-3-ene-8-carboxylate Openeye Name: phenyl (1S,5R)-3-phenyl-4-(p-tolyl)-8-azabicyclo[3.2.1]oct-3-ene-8-carboxylate CAS Name: (1S,5R)-4-(4-methylphenyl)-3-phenyl-8-azabicyclo[3.2.1]oct-3-ene-8-carboxylic acid phenyl ester IUPAC Name: phenyl (1S,5R)-4-(4-methylphenyl)-3-phenyl-8-azabicyclo[3.2.1]oct-3-ene-8-carboxylate Traditional Name: (1S,5R)-3-phenyl-4-(p-tolyl)-8-azabicyclo[3.2.1]oct-3-ene-8-carboxylic acid phenyl ester Formula: C27H25NO2 MolecularWeight: 395.4929

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(CC3CCC2N3C(=O)OC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C[C@@H]3CC[C@H]2N3C(=O)OC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H25NO2/c1-19-12-14-21(15-13-19)26-24(20-8-4-2-5-9-20)18-22-16-17-25(26)28(22)27(29)30-23-10-6-3-7-11-23/h2-15,22,25H,16-18H2,1H3/t22-,25+/m0/s1