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

Systemtic Name: 4-(1,3,5-trimethyl-4-octadecanoyl-pyrrol-2-yl)butanoic acid Openeye Name: 4-(1,3,5-trimethyl-4-octadecanoyl-pyrrol-2-yl)butanoic acid CAS Name: 4-[1,3,5-trimethyl-4-(1-oxooctadecyl)-2-pyrrolyl]butanoic acid IUPAC Name: 4-(1,3,5-trimethyl-4-octadecanoylpyrrol-2-yl)butanoic acid Traditional Name: 4-(1,3,5-trimethyl-4-stearoyl-pyrrol-2-yl)butyric acid Formula: C29H51NO3 MolecularWeight: 461.72014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H51NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-27(31)29-24(2)26(30(4)25(29)3)21-20-23-28(32)33/h5-23H2,1-4H3,(H,32,33)