5-[2-(2-carboxyethyl)-4-dodecanoyl-3,5-dimethyl-pyrrol-1-yl]pentanoic acid

Systemtic Name: 5-[2-(2-carboxyethyl)-4-dodecanoyl-3,5-dimethyl-pyrrol-1-yl]pentanoic acid Openeye Name: 5-[2-(2-carboxyethyl)-4-dodecanoyl-3,5-dimethyl-pyrrol-1-yl]pentanoic acid CAS Name: 5-[2-(2-carboxyethyl)-3,5-dimethyl-4-(1-oxododecyl)-1-pyrrolyl]pentanoic acid IUPAC Name: 5-[2-(2-carboxyethyl)-4-dodecanoyl-3,5-dimethylpyrrol-1-yl]pentanoic acid Traditional Name: 5-[2-(2-carboxyethyl)-4-lauroyl-3,5-dimethyl-pyrrol-1-yl]valeric acid Formula: C26H43NO5 MolecularWeight: 449.62332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C1=C(N(C(=C1C)CCC(=O)O)CCCCC(=O)O)C

Isomeric SMILES

CCCCCCCCCCCC(=O)C1=C(N(C(=C1C)CCC(=O)O)CCCCC(=O)O)C

InChI

InChI=1S/C26H43NO5/c1-4-5-6-7-8-9-10-11-12-15-23(28)26-20(2)22(17-18-25(31)32)27(21(26)3)19-14-13-16-24(29)30/h4-19H2,1-3H3,(H,29,30)(H,31,32)