2-(1,3,4-trimethyl-5-octadecanoyl-pyrrol-2-yl)ethanoic acid

Systemtic Name: 2-(1,3,4-trimethyl-5-octadecanoyl-pyrrol-2-yl)ethanoic acid Openeye Name: 2-(1,3,4-trimethyl-5-octadecanoyl-pyrrol-2-yl)acetic acid CAS Name: 2-[1,3,4-trimethyl-5-(1-oxooctadecyl)-2-pyrrolyl]acetic acid IUPAC Name: 2-(1,3,4-trimethyl-5-octadecanoylpyrrol-2-yl)acetic acid Traditional Name: 2-(1,3,4-trimethyl-5-stearoyl-pyrrol-2-yl)acetic acid Formula: C27H47NO3 MolecularWeight: 433.66698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C1=C(C(=C(N1C)CC(=O)O)C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C1=C(C(=C(N1C)CC(=O)O)C)C

InChI

InChI=1S/C27H47NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)27-23(3)22(2)24(28(27)4)21-26(30)31/h5-21H2,1-4H3,(H,30,31)