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

Systemtic Name: ethyl 2-[5-methyl-4-octadecanoyl-1,3-bis(phenylmethyl)pyrrol-2-yl]ethanoate Openeye Name: ethyl 2-(1,3-dibenzyl-5-methyl-4-octadecanoyl-pyrrol-2-yl)acetate CAS Name: 2-[5-methyl-4-(1-oxooctadecyl)-1,3-bis(phenylmethyl)-2-pyrrolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-(1,3-dibenzyl-5-methyl-4-octadecanoylpyrrol-2-yl)acetate Traditional Name: 2-(1,3-dibenzyl-5-methyl-4-stearoyl-pyrrol-2-yl)acetic acid ethyl ester Formula: C41H59NO3 MolecularWeight: 613.91206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C1=C(N(C(=C1CC2=CC=CC=C2)CC(=O)OCC)CC3=CC=CC=C3)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C1=C(N(C(=C1CC2=CC=CC=C2)CC(=O)OCC)CC3=CC=CC=C3)C

InChI

InChI=1S/C41H59NO3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-25-30-39(43)41-34(3)42(33-36-28-23-20-24-29-36)38(32-40(44)45-5-2)37(41)31-35-26-21-19-22-27-35/h19-24,26-29H,4-18,25,30-33H2,1-3H3