3-[3,5-dimethyl-4-octadecanoyl-1-(6-oxidanylhexyl)pyrrol-2-yl]propanoic acid

Systemtic Name: 3-[3,5-dimethyl-4-octadecanoyl-1-(6-oxidanylhexyl)pyrrol-2-yl]propanoic acid Openeye Name: 3-[1-(6-hydroxyhexyl)-3,5-dimethyl-4-octadecanoyl-pyrrol-2-yl]propanoic acid CAS Name: 3-[1-(6-hydroxyhexyl)-3,5-dimethyl-4-(1-oxooctadecyl)-2-pyrrolyl]propanoic acid IUPAC Name: 3-[1-(6-hydroxyhexyl)-3,5-dimethyl-4-octadecanoylpyrrol-2-yl]propanoic acid Traditional Name: 3-[1-(6-hydroxyhexyl)-3,5-dimethyl-4-stearoyl-pyrrol-2-yl]propionic acid Formula: C33H59NO4 MolecularWeight: 533.82586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C1=C(N(C(=C1C)CCC(=O)O)CCCCCCO)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C1=C(N(C(=C1C)CCC(=O)O)CCCCCCO)C

InChI

InChI=1S/C33H59NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-31(36)33-28(2)30(24-25-32(37)38)34(29(33)3)26-21-18-19-22-27-35/h35H,4-27H2,1-3H3,(H,37,38)