tert-butyl (2S)-1-[(1S,6R)-1-cyano-3,4-dimethyl-6-phenyl-cyclohex-3-en-1-yl]carbonylpyrrolidine-2-carboxylate

Systemtic Name: tert-butyl (2S)-1-[(1S,6R)-1-cyano-3,4-dimethyl-6-phenyl-cyclohex-3-en-1-yl]carbonylpyrrolidine-2-carboxylate Openeye Name: tert-butyl (2S)-1-[(1S,6R)-1-cyano-3,4-dimethyl-6-phenyl-cyclohex-3-ene-1-carbonyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[[(1S,6R)-1-cyano-3,4-dimethyl-6-phenyl-1-cyclohex-3-enyl]-oxomethyl]-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-1-[(1S,6R)-1-cyano-3,4-dimethyl-6-phenylcyclohex-3-ene-1-carbonyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(1S,6R)-1-cyano-3,4-dimethyl-6-phenyl-cyclohex-3-ene-1-carbonyl]pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C25H32N2O3 MolecularWeight: 408.53318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C2=CC=CC=C2)(C#N)C(=O)N3CCCC3C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=C(C[C@]([C@H](C1)C2=CC=CC=C2)(C#N)C(=O)N3CCC[C@H]3C(=O)OC(C)(C)C)C

InChI

InChI=1S/C25H32N2O3/c1-17-14-20(19-10-7-6-8-11-19)25(16-26,15-18(17)2)23(29)27-13-9-12-21(27)22(28)30-24(3,4)5/h6-8,10-11,20-21H,9,12-15H2,1-5H3/t20-,21+,25-/m1/s1