3-[4-[[2-(2-carboxyethyl)-3,5-dimethyl-4-octadecanoyl-pyrrol-1-yl]methyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[[2-(2-carboxyethyl)-3,5-dimethyl-4-octadecanoyl-pyrrol-1-yl]methyl]phenyl]propanoic acid Openeye Name: 3-[4-[[2-(2-carboxyethyl)-3,5-dimethyl-4-octadecanoyl-pyrrol-1-yl]methyl]phenyl]propanoic acid CAS Name: 3-[4-[[2-(2-carboxyethyl)-3,5-dimethyl-4-(1-oxooctadecyl)-1-pyrrolyl]methyl]phenyl]propanoic acid IUPAC Name: 3-[4-[[2-(2-carboxyethyl)-3,5-dimethyl-4-octadecanoylpyrrol-1-yl]methyl]phenyl]propanoic acid Traditional Name: 3-[4-[[2-(2-carboxyethyl)-3,5-dimethyl-4-stearoyl-pyrrol-1-yl]methyl]phenyl]propionic acid Formula: C37H57NO5 MolecularWeight: 595.85218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C1=C(N(C(=C1C)CCC(=O)O)CC2=CC=C(C=C2)CCC(=O)O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C1=C(N(C(=C1C)CCC(=O)O)CC2=CC=C(C=C2)CCC(=O)O)C

InChI

InChI=1S/C37H57NO5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-34(39)37-29(2)33(25-27-36(42)43)38(30(37)3)28-32-22-20-31(21-23-32)24-26-35(40)41/h20-23H,4-19,24-28H2,1-3H3,(H,40,41)(H,42,43)