5-butoxycarbonyl-5-ethyl-2H-pyrrole-1-carboxylic acid

Systemtic Name: 5-butoxycarbonyl-5-ethyl-2H-pyrrole-1-carboxylic acid Openeye Name: 5-butoxycarbonyl-5-ethyl-2H-pyrrole-1-carboxylic acid CAS Name: 5-[butoxy(oxo)methyl]-5-ethyl-2H-pyrrole-1-carboxylic acid IUPAC Name: 5-butoxycarbonyl-5-ethyl-2H-pyrrole-1-carboxylic acid Traditional Name: 2-butoxycarbonyl-2-ethyl-3-pyrroline-1-carboxylic acid Formula: C12H19NO4 MolecularWeight: 241.28356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1(C=CCN1C(=O)O)CC

Isomeric SMILES

CCCCOC(=O)C1(C=CCN1C(=O)O)CC

InChI

InChI=1S/C12H19NO4/c1-3-5-9-17-10(14)12(4-2)7-6-8-13(12)11(15)16/h6-7H,3-5,8-9H2,1-2H3,(H,15,16)