tert-butyl (2S)-2-[(E)-2-(6-cyano-1-ethyl-indol-2-yl)ethenyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[(E)-2-(6-cyano-1-ethyl-indol-2-yl)ethenyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[(E)-2-(6-cyano-1-ethyl-indol-2-yl)vinyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[(E)-2-(6-cyano-1-ethyl-2-indolyl)ethenyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[(E)-2-(6-cyano-1-ethylindol-2-yl)ethenyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[(E)-2-(6-cyano-1-ethyl-indol-2-yl)vinyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C22H27N3O2 MolecularWeight: 365.46868

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC2=C1C=C(C=C2)C#N)C=CC3CCCN3C(=O)OC(C)(C)C

Isomeric SMILES

CCN1C(=CC2=C1C=C(C=C2)C#N)/C=C/[C@@H]3CCCN3C(=O)OC(C)(C)C

InChI

InChI=1S/C22H27N3O2/c1-5-24-19(14-17-9-8-16(15-23)13-20(17)24)11-10-18-7-6-12-25(18)21(26)27-22(2,3)4/h8-11,13-14,18H,5-7,12H2,1-4H3/b11-10+/t18-/m0/s1