[(1S)-1-naphthalen-1-ylethyl] (1S,2S,3R,4R)-3-cyano-2-phenyl-bicyclo[2.2.1]hept-5-ene-3-carboxylate

Systemtic Name: [(1S)-1-naphthalen-1-ylethyl] (1S,2S,3R,4R)-3-cyano-2-phenyl-bicyclo[2.2.1]hept-5-ene-3-carboxylate Openeye Name: [(1S)-1-(1-naphthyl)ethyl] (1S,2S,3R,4R)-3-cyano-2-phenyl-bicyclo[2.2.1]hept-5-ene-3-carboxylate CAS Name: (1S,2S,3R,4R)-3-cyano-2-phenyl-3-bicyclo[2.2.1]hept-5-enecarboxylic acid [(1S)-1-(1-naphthalenyl)ethyl] ester IUPAC Name: [(1S)-1-naphthalen-1-ylethyl] (1S,2S,3R,4R)-3-cyano-2-phenylbicyclo[2.2.1]hept-5-ene-3-carboxylate Traditional Name: (1S,2S,3R,4R)-3-cyano-2-phenyl-bicyclo[2.2.1]hept-5-ene-3-carboxylic acid [(1S)-1-(1-naphthyl)ethyl] ester Formula: C27H23NO2 MolecularWeight: 393.47702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)OC(=O)C3(C4CC(C3C5=CC=CC=C5)C=C4)C#N

Isomeric SMILES

C[C@@H](C1=CC=CC2=CC=CC=C21)OC(=O)[C@@]3([C@@H]4C[C@H]([C@H]3C5=CC=CC=C5)C=C4)C#N

InChI

InChI=1S/C27H23NO2/c1-18(23-13-7-11-19-8-5-6-12-24(19)23)30-26(29)27(17-28)22-15-14-21(16-22)25(27)20-9-3-2-4-10-20/h2-15,18,21-22,25H,16H2,1H3/t18-,21+,22-,25+,27+/m0/s1