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

Systemtic Name: methyl 3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-octadecanoyl-pyrrol-2-yl]propanoate Openeye Name: methyl 3-[3,5-dimethyl-4-octadecanoyl-1-(p-tolylmethyl)pyrrol-2-yl]propanoate CAS Name: 3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-(1-oxooctadecyl)-2-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-octadecanoylpyrrol-2-yl]propanoate Traditional Name: 3-[3,5-dimethyl-1-(4-methylbenzyl)-4-stearoyl-pyrrol-2-yl]propionic acid methyl ester Formula: C36H57NO3 MolecularWeight: 551.84268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H57NO3/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-34(38)36-30(3)33(26-27-35(39)40-5)37(31(36)4)28-32-24-22-29(2)23-25-32/h22-25H,6-21,26-28H2,1-5H3