4-(2-ethylhexanoyl)-1-methyl-pyrrole-2-carboxylic acid

Systemtic Name: 4-(2-ethylhexanoyl)-1-methyl-pyrrole-2-carboxylic acid Openeye Name: 4-(2-ethylhexanoyl)-1-methyl-pyrrole-2-carboxylic acid CAS Name: 4-(2-ethyl-1-oxohexyl)-1-methyl-2-pyrrolecarboxylic acid IUPAC Name: 4-(2-ethylhexanoyl)-1-methylpyrrole-2-carboxylic acid Traditional Name: 4-(2-ethylhexanoyl)-1-methyl-pyrrole-2-carboxylic acid Formula: C14H21NO3 MolecularWeight: 251.32144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)C1=CN(C(=C1)C(=O)O)C

Isomeric SMILES

CCCCC(CC)C(=O)C1=CN(C(=C1)C(=O)O)C

InChI

InChI=1S/C14H21NO3/c1-4-6-7-10(5-2)13(16)11-8-12(14(17)18)15(3)9-11/h8-10H,4-7H2,1-3H3,(H,17,18)