3-(1-methyl-4-octadecanoyl-pyrrol-2-yl)propanoic acid

Systemtic Name: 3-(1-methyl-4-octadecanoyl-pyrrol-2-yl)propanoic acid Openeye Name: 3-(1-methyl-4-octadecanoyl-pyrrol-2-yl)propanoic acid CAS Name: 3-[1-methyl-4-(1-oxooctadecyl)-2-pyrrolyl]propanoic acid IUPAC Name: 3-(1-methyl-4-octadecanoylpyrrol-2-yl)propanoic acid Traditional Name: 3-(1-methyl-4-stearoyl-pyrrol-2-yl)propionic acid Formula: C26H45NO3 MolecularWeight: 419.6404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C1=CN(C(=C1)CCC(=O)O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C1=CN(C(=C1)CCC(=O)O)C

InChI

InChI=1S/C26H45NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(28)23-21-24(27(2)22-23)19-20-26(29)30/h21-22H,3-20H2,1-2H3,(H,29,30)