methyl 5-(3,3-dimethylbut-1-ynyl)-4-ethyl-2-methanoyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-(3,3-dimethylbut-1-ynyl)-4-ethyl-2-methanoyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-(3,3-dimethylbut-1-ynyl)-4-ethyl-2-formyl-1H-pyrrole-3-carboxylate CAS Name: 5-(3,3-dimethylbut-1-ynyl)-4-ethyl-2-formyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-(3,3-dimethylbut-1-ynyl)-4-ethyl-2-formyl-1H-pyrrole-3-carboxylate Traditional Name: 5-(3,3-dimethylbut-1-ynyl)-4-ethyl-2-formyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C15H19NO3 MolecularWeight: 261.31626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO3/c1-6-10-11(7-8-15(2,3)4)16-12(9-17)13(10)14(18)19-5/h9,16H,6H2,1-5H3