1-methyl-4-octanoyl-pyrrole-2-carboxylic acid

Systemtic Name: 1-methyl-4-octanoyl-pyrrole-2-carboxylic acid Openeye Name: 1-methyl-4-octanoyl-pyrrole-2-carboxylic acid CAS Name: 1-methyl-4-(1-oxooctyl)-2-pyrrolecarboxylic acid IUPAC Name: 1-methyl-4-octanoylpyrrole-2-carboxylic acid Traditional Name: 4-caprylyl-1-methyl-pyrrole-2-carboxylic acid Formula: C14H21NO3 MolecularWeight: 251.32144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)C1=CN(C(=C1)C(=O)O)C

Isomeric SMILES

CCCCCCCC(=O)C1=CN(C(=C1)C(=O)O)C

InChI

InChI=1S/C14H21NO3/c1-3-4-5-6-7-8-13(16)11-9-12(14(17)18)15(2)10-11/h9-10H,3-8H2,1-2H3,(H,17,18)