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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1C)C)C#CC(C)(C)O)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1C)C)C#CC(C)(C)O)C

InChI

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