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

Systemtic Name: 3-(3,5-dimethyl-4-octadecanoyl-1H-pyrrol-2-yl)propanoic acid Openeye Name: 3-(3,5-dimethyl-4-octadecanoyl-1H-pyrrol-2-yl)propanoic acid CAS Name: 3-[3,5-dimethyl-4-(1-oxooctadecyl)-1H-pyrrol-2-yl]propanoic acid IUPAC Name: 3-(3,5-dimethyl-4-octadecanoyl-1H-pyrrol-2-yl)propanoic acid Traditional Name: 3-(3,5-dimethyl-4-stearoyl-1H-pyrrol-2-yl)propionic acid Formula: C27H47NO3 MolecularWeight: 433.66698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H47NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(29)27-22(2)24(28-23(27)3)20-21-26(30)31/h28H,4-21H2,1-3H3,(H,30,31)