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

Systemtic Name: 2-[3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-octadecanoyl-pyrrol-2-yl]ethanoic acid Openeye Name: 2-[3,5-dimethyl-4-octadecanoyl-1-(p-tolylmethyl)pyrrol-2-yl]acetic acid CAS Name: 2-[3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-(1-oxooctadecyl)-2-pyrrolyl]acetic acid IUPAC Name: 2-[3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-octadecanoylpyrrol-2-yl]acetic acid Traditional Name: 2-[3,5-dimethyl-1-(4-methylbenzyl)-4-stearoyl-pyrrol-2-yl]acetic acid Formula: C34H53NO3 MolecularWeight: 523.78952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H53NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-32(36)34-28(3)31(25-33(37)38)35(29(34)4)26-30-23-21-27(2)22-24-30/h21-24H,5-20,25-26H2,1-4H3,(H,37,38)