7-[2-(2-carboxyethyl)-4-dodecanoyl-3,5-dimethyl-pyrrol-1-yl]heptanoic acid

Systemtic Name: 7-[2-(2-carboxyethyl)-4-dodecanoyl-3,5-dimethyl-pyrrol-1-yl]heptanoic acid Openeye Name: 7-[2-(2-carboxyethyl)-4-dodecanoyl-3,5-dimethyl-pyrrol-1-yl]heptanoic acid CAS Name: 7-[2-(2-carboxyethyl)-3,5-dimethyl-4-(1-oxododecyl)-1-pyrrolyl]heptanoic acid IUPAC Name: 7-[2-(2-carboxyethyl)-4-dodecanoyl-3,5-dimethylpyrrol-1-yl]heptanoic acid Traditional Name: 7-[2-(2-carboxyethyl)-4-lauroyl-3,5-dimethyl-pyrrol-1-yl]enanthic acid Formula: C28H47NO5 MolecularWeight: 477.67648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H47NO5/c1-4-5-6-7-8-9-10-11-14-17-25(30)28-22(2)24(19-20-27(33)34)29(23(28)3)21-16-13-12-15-18-26(31)32/h4-21H2,1-3H3,(H,31,32)(H,33,34)