ethyl 1,2,4-trimethyl-5-(3-methyl-3-oxidanyl-but-1-ynyl)pyrrole-3-carboxylate

Systemtic Name: ethyl 1,2,4-trimethyl-5-(3-methyl-3-oxidanyl-but-1-ynyl)pyrrole-3-carboxylate Openeye Name: ethyl 5-(3-hydroxy-3-methyl-but-1-ynyl)-1,2,4-trimethyl-pyrrole-3-carboxylate CAS Name: 5-(3-hydroxy-3-methylbut-1-ynyl)-1,2,4-trimethyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(3-hydroxy-3-methylbut-1-ynyl)-1,2,4-trimethylpyrrole-3-carboxylate Traditional Name: 5-(3-hydroxy-3-methyl-but-1-ynyl)-1,2,4-trimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C15H21NO3 MolecularWeight: 263.33214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1C)C#CC(C)(C)O)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1C)C#CC(C)(C)O)C)C

InChI

InChI=1S/C15H21NO3/c1-7-19-14(17)13-10(2)12(16(6)11(13)3)8-9-15(4,5)18/h18H,7H2,1-6H3