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

Systemtic Name: 3-(1,3,5-trimethyl-4-octadecanoyl-pyrrol-2-yl)propanoic acid Openeye Name: 3-(1,3,5-trimethyl-4-octadecanoyl-pyrrol-2-yl)propanoic acid CAS Name: 3-[1,3,5-trimethyl-4-(1-oxooctadecyl)-2-pyrrolyl]propanoic acid IUPAC Name: 3-(1,3,5-trimethyl-4-octadecanoylpyrrol-2-yl)propanoic acid Traditional Name: 3-(1,3,5-trimethyl-4-stearoyl-pyrrol-2-yl)propionic acid Formula: C28H49NO3 MolecularWeight: 447.69356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H49NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(30)28-23(2)25(21-22-27(31)32)29(4)24(28)3/h5-22H2,1-4H3,(H,31,32)