methyl 3-[1-(6-acetyloxyhexyl)-3,5-dimethyl-4-octadecanoyl-pyrrol-2-yl]propanoate

Systemtic Name: methyl 3-[1-(6-acetyloxyhexyl)-3,5-dimethyl-4-octadecanoyl-pyrrol-2-yl]propanoate Openeye Name: methyl 3-[1-(6-acetoxyhexyl)-3,5-dimethyl-4-octadecanoyl-pyrrol-2-yl]propanoate CAS Name: 3-[1-(6-acetyloxyhexyl)-3,5-dimethyl-4-(1-oxooctadecyl)-2-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[1-(6-acetyloxyhexyl)-3,5-dimethyl-4-octadecanoylpyrrol-2-yl]propanoate Traditional Name: 3-[1-(6-acetoxyhexyl)-3,5-dimethyl-4-stearoyl-pyrrol-2-yl]propionic acid methyl ester Formula: C36H63NO5 MolecularWeight: 589.88912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C1=C(N(C(=C1C)CCC(=O)OC)CCCCCCOC(=O)C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C1=C(N(C(=C1C)CCC(=O)OC)CCCCCCOC(=O)C)C

InChI

InChI=1S/C36H63NO5/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-34(39)36-30(2)33(26-27-35(40)41-5)37(31(36)3)28-23-20-21-24-29-42-32(4)38/h6-29H2,1-5H3