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

Systemtic Name: 4-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-5-propoxycarbonyl-1H-pyrrole-2-carboxylic acid Openeye Name: 3-tert-butoxycarbonyl-4-methyl-5-propoxycarbonyl-1H-pyrrole-2-carboxylic acid CAS Name: 4-methyl-3-[(2-methylpropan-2-yl)oxy-oxomethyl]-5-[oxo(propoxy)methyl]-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-5-propoxycarbonyl-1H-pyrrole-2-carboxylic acid Traditional Name: 3-tert-butoxycarbonyl-4-methyl-5-propoxycarbonyl-1H-pyrrole-2-carboxylic acid Formula: C15H21NO6 MolecularWeight: 311.33034

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(C(=C(N1)C(=O)O)C(=O)OC(C)(C)C)C

Isomeric SMILES

CCCOC(=O)C1=C(C(=C(N1)C(=O)O)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C15H21NO6/c1-6-7-21-14(20)10-8(2)9(11(16-10)12(17)18)13(19)22-15(3,4)5/h16H,6-7H2,1-5H3,(H,17,18)