3-[1,4-dimethyl-5-(phenylcarbonyl)pyrrol-2-yl]octanoic acid

Systemtic Name: 3-[1,4-dimethyl-5-(phenylcarbonyl)pyrrol-2-yl]octanoic acid Openeye Name: 3-(5-benzoyl-1,4-dimethyl-pyrrol-2-yl)octanoic acid CAS Name: 3-(5-benzoyl-1,4-dimethyl-2-pyrrolyl)octanoic acid IUPAC Name: 3-(5-benzoyl-1,4-dimethylpyrrol-2-yl)octanoic acid Traditional Name: 3-(5-benzoyl-1,4-dimethyl-pyrrol-2-yl)caprylic acid Formula: C21H27NO3 MolecularWeight: 341.44398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC(=O)O)C1=CC(=C(N1C)C(=O)C2=CC=CC=C2)C

Isomeric SMILES

CCCCCC(CC(=O)O)C1=CC(=C(N1C)C(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C21H27NO3/c1-4-5-7-12-17(14-19(23)24)18-13-15(2)20(22(18)3)21(25)16-10-8-6-9-11-16/h6,8-11,13,17H,4-5,7,12,14H2,1-3H3,(H,23,24)