8-[2-(carboxymethyl)-4-dodecanoyl-3,5-dimethyl-pyrrol-1-yl]octanoic acid

Systemtic Name: 8-[2-(carboxymethyl)-4-dodecanoyl-3,5-dimethyl-pyrrol-1-yl]octanoic acid Openeye Name: 8-[2-(carboxymethyl)-4-dodecanoyl-3,5-dimethyl-pyrrol-1-yl]octanoic acid CAS Name: 8-[2-(carboxymethyl)-3,5-dimethyl-4-(1-oxododecyl)-1-pyrrolyl]octanoic acid IUPAC Name: 8-[2-(carboxymethyl)-4-dodecanoyl-3,5-dimethylpyrrol-1-yl]octanoic acid Traditional Name: 8-[2-(carboxymethyl)-4-lauroyl-3,5-dimethyl-pyrrol-1-yl]caprylic acid Formula: C28H47NO5 MolecularWeight: 477.67648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C1=C(N(C(=C1C)CC(=O)O)CCCCCCCC(=O)O)C

Isomeric SMILES

CCCCCCCCCCCC(=O)C1=C(N(C(=C1C)CC(=O)O)CCCCCCCC(=O)O)C

InChI

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