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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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