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

Systemtic Name: 3-[1-[(4-methoxyphenyl)methyl]-3,5-dimethyl-4-octadecanoyl-pyrrol-2-yl]propanoic acid Openeye Name: 3-[1-[(4-methoxyphenyl)methyl]-3,5-dimethyl-4-octadecanoyl-pyrrol-2-yl]propanoic acid CAS Name: 3-[1-[(4-methoxyphenyl)methyl]-3,5-dimethyl-4-(1-oxooctadecyl)-2-pyrrolyl]propanoic acid IUPAC Name: 3-[1-[(4-methoxyphenyl)methyl]-3,5-dimethyl-4-octadecanoylpyrrol-2-yl]propanoic acid Traditional Name: 3-(3,5-dimethyl-1-p-anisyl-4-stearoyl-pyrrol-2-yl)propionic acid Formula: C35H55NO4 MolecularWeight: 553.8155

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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)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C35H55NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-33(37)35-28(2)32(25-26-34(38)39)36(29(35)3)27-30-21-23-31(40-4)24-22-30/h21-24H,5-20,25-27H2,1-4H3,(H,38,39)