methyl 4-ethyl-2-methanoyl-5-(3-methyl-3-oxidanyl-but-1-ynyl)-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 4-ethyl-2-methanoyl-5-(3-methyl-3-oxidanyl-but-1-ynyl)-1H-pyrrole-3-carboxylate Openeye Name: methyl 4-ethyl-2-formyl-5-(3-hydroxy-3-methyl-but-1-ynyl)-1H-pyrrole-3-carboxylate CAS Name: 4-ethyl-2-formyl-5-(3-hydroxy-3-methylbut-1-ynyl)-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-2-formyl-5-(3-hydroxy-3-methylbut-1-ynyl)-1H-pyrrole-3-carboxylate Traditional Name: 4-ethyl-2-formyl-5-(3-hydroxy-3-methyl-but-1-ynyl)-1H-pyrrole-3-carboxylic acid methyl ester Formula: C14H17NO4 MolecularWeight: 263.28908

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C(=O)OC)C=O)C#CC(C)(C)O

Isomeric SMILES

CCC1=C(NC(=C1C(=O)OC)C=O)C#CC(C)(C)O

InChI

InChI=1S/C14H17NO4/c1-5-9-10(6-7-14(2,3)18)15-11(8-16)12(9)13(17)19-4/h8,15,18H,5H2,1-4H3