tert-butyl 3-cyclohexyl-4-(2-cyclohexylethynyl)-1H-pyrrole-2-carboxylate

Systemtic Name: tert-butyl 3-cyclohexyl-4-(2-cyclohexylethynyl)-1H-pyrrole-2-carboxylate Openeye Name: tert-butyl 3-cyclohexyl-4-(2-cyclohexylethynyl)-1H-pyrrole-2-carboxylate CAS Name: 3-cyclohexyl-4-(2-cyclohexylethynyl)-1H-pyrrole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-cyclohexyl-4-(2-cyclohexylethynyl)-1H-pyrrole-2-carboxylate Traditional Name: 3-cyclohexyl-4-(2-cyclohexylethynyl)-1H-pyrrole-2-carboxylic acid tert-butyl ester Formula: C23H33NO2 MolecularWeight: 355.51362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(C(=CN1)C#CC2CCCCC2)C3CCCCC3

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(C(=CN1)C#CC2CCCCC2)C3CCCCC3

InChI

InChI=1S/C23H33NO2/c1-23(2,3)26-22(25)21-20(18-12-8-5-9-13-18)19(16-24-21)15-14-17-10-6-4-7-11-17/h16-18,24H,4-13H2,1-3H3