tert-butyl 3,4-dimethyl-2-(1-oxidanylprop-2-ynyl)pyrrole-1-carboxylate

Systemtic Name: tert-butyl 3,4-dimethyl-2-(1-oxidanylprop-2-ynyl)pyrrole-1-carboxylate Openeye Name: tert-butyl 2-(1-hydroxyprop-2-ynyl)-3,4-dimethyl-pyrrole-1-carboxylate CAS Name: 2-(1-hydroxyprop-2-ynyl)-3,4-dimethyl-1-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(1-hydroxyprop-2-ynyl)-3,4-dimethylpyrrole-1-carboxylate Traditional Name: 2-(1-hydroxyprop-2-ynyl)-3,4-dimethyl-pyrrole-1-carboxylic acid tert-butyl ester Formula: C14H19NO3 MolecularWeight: 249.30556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=C1C)C(C#C)O)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CN(C(=C1C)C(C#C)O)C(=O)OC(C)(C)C

InChI

InChI=1S/C14H19NO3/c1-7-11(16)12-10(3)9(2)8-15(12)13(17)18-14(4,5)6/h1,8,11,16H,2-6H3