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

Systemtic Name: 3-[1-(2-carboxyethyl)-4-dodecanoyl-3,5-dimethyl-pyrrol-2-yl]propanoic acid Openeye Name: 3-[1-(2-carboxyethyl)-4-dodecanoyl-3,5-dimethyl-pyrrol-2-yl]propanoic acid CAS Name: 3-[1-(2-carboxyethyl)-3,5-dimethyl-4-(1-oxododecyl)-2-pyrrolyl]propanoic acid IUPAC Name: 3-[1-(2-carboxyethyl)-4-dodecanoyl-3,5-dimethylpyrrol-2-yl]propanoic acid Traditional Name: 3-[1-(2-carboxyethyl)-4-lauroyl-3,5-dimethyl-pyrrol-2-yl]propionic acid Formula: C24H39NO5 MolecularWeight: 421.57016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H39NO5/c1-4-5-6-7-8-9-10-11-12-13-21(26)24-18(2)20(14-15-22(27)28)25(19(24)3)17-16-23(29)30/h4-17H2,1-3H3,(H,27,28)(H,29,30)