diethyl 3-methyl-5-(3-methyl-3-oxidanyl-but-1-ynyl)-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-(3-methyl-3-oxidanyl-but-1-ynyl)-1H-pyrrole-2,4-dicarboxylate Openeye Name: diethyl 5-(3-hydroxy-3-methyl-but-1-ynyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 5-(3-hydroxy-3-methylbut-1-ynyl)-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-(3-hydroxy-3-methylbut-1-ynyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-(3-hydroxy-3-methyl-but-1-ynyl)-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester Formula: C16H21NO5 MolecularWeight: 307.34164

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)C#CC(C)(C)O

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)C#CC(C)(C)O

InChI

InChI=1S/C16H21NO5/c1-6-21-14(18)12-10(3)13(15(19)22-7-2)17-11(12)8-9-16(4,5)20/h17,20H,6-7H2,1-5H3