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

Systemtic Name: 2-[5-methyl-4-octadecanoyl-1,3-bis(phenylmethyl)pyrrol-2-yl]ethanoic acid Openeye Name: 2-(1,3-dibenzyl-5-methyl-4-octadecanoyl-pyrrol-2-yl)acetic acid CAS Name: 2-[5-methyl-4-(1-oxooctadecyl)-1,3-bis(phenylmethyl)-2-pyrrolyl]acetic acid IUPAC Name: 2-(1,3-dibenzyl-5-methyl-4-octadecanoylpyrrol-2-yl)acetic acid Traditional Name: 2-(1,3-dibenzyl-5-methyl-4-stearoyl-pyrrol-2-yl)acetic acid Formula: C39H55NO3 MolecularWeight: 585.8589

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H55NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-28-37(41)39-32(2)40(31-34-26-21-18-22-27-34)36(30-38(42)43)35(39)29-33-24-19-17-20-25-33/h17-22,24-27H,3-16,23,28-31H2,1-2H3,(H,42,43)