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

Systemtic Name: 3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-octadecanoyl-pyrrol-2-yl]propanoic acid Openeye Name: 3-[3,5-dimethyl-4-octadecanoyl-1-(p-tolylmethyl)pyrrol-2-yl]propanoic acid CAS Name: 3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-(1-oxooctadecyl)-2-pyrrolyl]propanoic acid IUPAC Name: 3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-octadecanoylpyrrol-2-yl]propanoic acid Traditional Name: 3-[3,5-dimethyl-1-(4-methylbenzyl)-4-stearoyl-pyrrol-2-yl]propionic acid Formula: C35H55NO3 MolecularWeight: 537.8161

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H55NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-33(37)35-29(3)32(25-26-34(38)39)36(30(35)4)27-31-23-21-28(2)22-24-31/h21-24H,5-20,25-27H2,1-4H3,(H,38,39)