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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H57NO3/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-34(38)36-30(4)33(27-35(39)40-7-2)37(31(36)5)28-32-25-23-29(3)24-26-32/h23-26H,6-22,27-28H2,1-5H3