[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 6-cyano-9-ethenyl-5,7-dihydrobenzo[7]annulene-6-carboxylate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 6-cyano-9-ethenyl-5,7-dihydrobenzo[7]annulene-6-carboxylate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] 6-cyano-9-vinyl-5,7-dihydrobenzo[7]annulene-6-carboxylate CAS Name: 6-cyano-9-ethenyl-5,7-dihydrobenzo[7]annulene-6-carboxylic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 6-cyano-9-ethenyl-5,7-dihydrobenzo[7]annulene-6-carboxylate Traditional Name: 6-cyano-9-vinyl-5,7-dihydrobenzocycloheptene-6-carboxylic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C25H31NO2 MolecularWeight: 377.51914

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2(CC=C(C3=CC=CC=C3C2)C=C)C#N)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C2(CC=C(C3=CC=CC=C3C2)C=C)C#N)C(C)C

InChI

InChI=1S/C25H31NO2/c1-5-19-12-13-25(16-26,15-20-8-6-7-9-22(19)20)24(27)28-23-14-18(4)10-11-21(23)17(2)3/h5-9,12,17-18,21,23H,1,10-11,13-15H2,2-4H3/t18-,21+,23-,25?/m1/s1