3-(4-hexadecanoyl-1,3,5-trimethyl-pyrrol-2-yl)propanoic acid

Systemtic Name: 3-(4-hexadecanoyl-1,3,5-trimethyl-pyrrol-2-yl)propanoic acid Openeye Name: 3-(4-hexadecanoyl-1,3,5-trimethyl-pyrrol-2-yl)propanoic acid CAS Name: 3-[1,3,5-trimethyl-4-(1-oxohexadecyl)-2-pyrrolyl]propanoic acid IUPAC Name: 3-(4-hexadecanoyl-1,3,5-trimethylpyrrol-2-yl)propanoic acid Traditional Name: 3-(4-hexadecanoyl-1,3,5-trimethyl-pyrrol-2-yl)propionic acid Formula: C26H45NO3 MolecularWeight: 419.6404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H45NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(28)26-21(2)23(19-20-25(29)30)27(4)22(26)3/h5-20H2,1-4H3,(H,29,30)