2-(1-methyl-5-octadecanoyl-pyrrol-2-yl)ethanoic acid

Systemtic Name: 2-(1-methyl-5-octadecanoyl-pyrrol-2-yl)ethanoic acid Openeye Name: 2-(1-methyl-5-octadecanoyl-pyrrol-2-yl)acetic acid CAS Name: 2-[1-methyl-5-(1-oxooctadecyl)-2-pyrrolyl]acetic acid IUPAC Name: 2-(1-methyl-5-octadecanoylpyrrol-2-yl)acetic acid Traditional Name: 2-(1-methyl-5-stearoyl-pyrrol-2-yl)acetic acid Formula: C25H43NO3 MolecularWeight: 405.61382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C1=CC=C(N1C)CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C1=CC=C(N1C)CC(=O)O

InChI

InChI=1S/C25H43NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(27)23-20-19-22(26(23)2)21-25(28)29/h19-20H,3-18,21H2,1-2H3,(H,28,29)