3-[1-[6-(dimethylamino)hexyl]-3,5-dimethyl-4-octadecanoyl-pyrrol-2-yl]propanoic acid

Systemtic Name: 3-[1-[6-(dimethylamino)hexyl]-3,5-dimethyl-4-octadecanoyl-pyrrol-2-yl]propanoic acid Openeye Name: 3-[1-[6-(dimethylamino)hexyl]-3,5-dimethyl-4-octadecanoyl-pyrrol-2-yl]propanoic acid CAS Name: 3-[1-[6-(dimethylamino)hexyl]-3,5-dimethyl-4-(1-oxooctadecyl)-2-pyrrolyl]propanoic acid IUPAC Name: 3-[1-[6-(dimethylamino)hexyl]-3,5-dimethyl-4-octadecanoylpyrrol-2-yl]propanoic acid Traditional Name: 3-[1-[6-(dimethylamino)hexyl]-3,5-dimethyl-4-stearoyl-pyrrol-2-yl]propionic acid Formula: C35H64N2O3 MolecularWeight: 560.89426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C1=C(N(C(=C1C)CCC(=O)O)CCCCCCN(C)C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C1=C(N(C(=C1C)CCC(=O)O)CCCCCCN(C)C)C

InChI

InChI=1S/C35H64N2O3/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-33(38)35-30(2)32(26-27-34(39)40)37(31(35)3)29-24-21-20-23-28-36(4)5/h6-29H2,1-5H3,(H,39,40)