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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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