2-(2-methanoylpyrrol-1-yl)octanoic acid

Systemtic Name: 2-(2-methanoylpyrrol-1-yl)octanoic acid Openeye Name: 2-(2-formylpyrrol-1-yl)octanoic acid CAS Name: 2-(2-formyl-1-pyrrolyl)octanoic acid IUPAC Name: 2-(2-formylpyrrol-1-yl)octanoic acid Traditional Name: 2-(2-formylpyrrol-1-yl)caprylic acid Formula: C13H19NO3 MolecularWeight: 237.29486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)N1C=CC=C1C=O

Isomeric SMILES

CCCCCCC(C(=O)O)N1C=CC=C1C=O

InChI

InChI=1S/C13H19NO3/c1-2-3-4-5-8-12(13(16)17)14-9-6-7-11(14)10-15/h6-7,9-10,12H,2-5,8H2,1H3,(H,16,17)