6-(2,4-dimethyl-3-octadecanoyl-pyrrol-1-yl)hexanoic acid

Systemtic Name: 6-(2,4-dimethyl-3-octadecanoyl-pyrrol-1-yl)hexanoic acid Openeye Name: 6-(2,4-dimethyl-3-octadecanoyl-pyrrol-1-yl)hexanoic acid CAS Name: 6-[2,4-dimethyl-3-(1-oxooctadecyl)-1-pyrrolyl]hexanoic acid IUPAC Name: 6-(2,4-dimethyl-3-octadecanoylpyrrol-1-yl)hexanoic acid Traditional Name: 6-(2,4-dimethyl-3-stearoyl-pyrrol-1-yl)hexanoic acid Formula: C30H53NO3 MolecularWeight: 475.74672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H53NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-28(32)30-26(2)25-31(27(30)3)24-21-18-20-23-29(33)34/h25H,4-24H2,1-3H3,(H,33,34)