ethyl 3-(1-methyl-5-octadecanoyl-pyrrol-2-yl)propanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H49NO3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(30)26-23-21-25(29(26)3)22-24-28(31)32-5-2/h21,23H,4-20,22,24H2,1-3H3