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

Systemtic Name: 4-(3,5-dimethyl-4-octadecanoyl-1H-pyrrol-2-yl)butanoic acid Openeye Name: 4-(3,5-dimethyl-4-octadecanoyl-1H-pyrrol-2-yl)butanoic acid CAS Name: 4-[3,5-dimethyl-4-(1-oxooctadecyl)-1H-pyrrol-2-yl]butanoic acid IUPAC Name: 4-(3,5-dimethyl-4-octadecanoyl-1H-pyrrol-2-yl)butanoic acid Traditional Name: 4-(3,5-dimethyl-4-stearoyl-1H-pyrrol-2-yl)butyric acid Formula: C28H49NO3 MolecularWeight: 447.69356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H49NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26(30)28-23(2)25(29-24(28)3)20-19-22-27(31)32/h29H,4-22H2,1-3H3,(H,31,32)