3-ethyl-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1H-pyrrole-2-carboxylic acid

Systemtic Name: 3-ethyl-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1H-pyrrole-2-carboxylic acid Openeye Name: 5-tert-butoxycarbonyl-3-ethyl-4-methyl-1H-pyrrole-2-carboxylic acid CAS Name: 3-ethyl-4-methyl-5-[(2-methylpropan-2-yl)oxy-oxomethyl]-1H-pyrrole-2-carboxylic acid IUPAC Name: 3-ethyl-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1H-pyrrole-2-carboxylic acid Traditional Name: 5-tert-butoxycarbonyl-3-ethyl-4-methyl-1H-pyrrole-2-carboxylic acid Formula: C13H19NO4 MolecularWeight: 253.29426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO4/c1-6-8-7(2)9(14-10(8)11(15)16)12(17)18-13(3,4)5/h14H,6H2,1-5H3,(H,15,16)