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

Systemtic Name: 3-[1-[6-(dimethylamino)-6-oxidanylidene-hexyl]-3,5-dimethyl-4-octadecanoyl-pyrrol-2-yl]propanoic acid Openeye Name: 3-[1-[6-(dimethylamino)-6-oxo-hexyl]-3,5-dimethyl-4-octadecanoyl-pyrrol-2-yl]propanoic acid CAS Name: 3-[1-[6-(dimethylamino)-6-oxohexyl]-3,5-dimethyl-4-(1-oxooctadecyl)-2-pyrrolyl]propanoic acid IUPAC Name: 3-[1-[6-(dimethylamino)-6-oxohexyl]-3,5-dimethyl-4-octadecanoylpyrrol-2-yl]propanoic acid Traditional Name: 3-[1-[6-(dimethylamino)-6-keto-hexyl]-3,5-dimethyl-4-stearoyl-pyrrol-2-yl]propionic acid Formula: C35H62N2O4 MolecularWeight: 574.87778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H62N2O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-32(38)35-29(2)31(26-27-34(40)41)37(30(35)3)28-23-20-22-25-33(39)36(4)5/h6-28H2,1-5H3,(H,40,41)