2-(3,5-dimethyl-4-octadecanoyl-1H-pyrrol-2-yl)ethanoic acid

Systemtic Name: 2-(3,5-dimethyl-4-octadecanoyl-1H-pyrrol-2-yl)ethanoic acid Openeye Name: 2-(3,5-dimethyl-4-octadecanoyl-1H-pyrrol-2-yl)acetic acid CAS Name: 2-[3,5-dimethyl-4-(1-oxooctadecyl)-1H-pyrrol-2-yl]acetic acid IUPAC Name: 2-(3,5-dimethyl-4-octadecanoyl-1H-pyrrol-2-yl)acetic acid Traditional Name: 2-(3,5-dimethyl-4-stearoyl-1H-pyrrol-2-yl)acetic acid Formula: C26H45NO3 MolecularWeight: 419.6404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C1=C(NC(=C1C)CC(=O)O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C1=C(NC(=C1C)CC(=O)O)C

InChI

InChI=1S/C26H45NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(28)26-21(2)23(20-25(29)30)27-22(26)3/h27H,4-20H2,1-3H3,(H,29,30)