8-(2-butyl-5-methanoyl-pyrrol-1-yl)octanoic acid

Systemtic Name: 8-(2-butyl-5-methanoyl-pyrrol-1-yl)octanoic acid Openeye Name: 8-(2-butyl-5-formyl-pyrrol-1-yl)octanoic acid CAS Name: 8-(2-butyl-5-formyl-1-pyrrolyl)octanoic acid IUPAC Name: 8-(2-butyl-5-formylpyrrol-1-yl)octanoic acid Traditional Name: 8-(2-butyl-5-formyl-pyrrol-1-yl)caprylic acid Formula: C17H27NO3 MolecularWeight: 293.40118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(N1CCCCCCCC(=O)O)C=O

Isomeric SMILES

CCCCC1=CC=C(N1CCCCCCCC(=O)O)C=O

InChI

InChI=1S/C17H27NO3/c1-2-3-9-15-11-12-16(14-19)18(15)13-8-6-4-5-7-10-17(20)21/h11-12,14H,2-10,13H2,1H3,(H,20,21)