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

Systemtic Name: methyl 3-[1-[6-(dimethylamino)-6-oxidanylidene-hexyl]-3,5-dimethyl-4-octadecanoyl-pyrrol-2-yl]propanoate Openeye Name: methyl 3-[1-[6-(dimethylamino)-6-oxo-hexyl]-3,5-dimethyl-4-octadecanoyl-pyrrol-2-yl]propanoate CAS Name: 3-[1-[6-(dimethylamino)-6-oxohexyl]-3,5-dimethyl-4-(1-oxooctadecyl)-2-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[1-[6-(dimethylamino)-6-oxohexyl]-3,5-dimethyl-4-octadecanoylpyrrol-2-yl]propanoate Traditional Name: 3-[1-[6-(dimethylamino)-6-keto-hexyl]-3,5-dimethyl-4-stearoyl-pyrrol-2-yl]propionic acid methyl ester Formula: C36H64N2O4 MolecularWeight: 588.90436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H64N2O4/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25-33(39)36-30(2)32(27-28-35(41)42-6)38(31(36)3)29-24-21-23-26-34(40)37(4)5/h7-29H2,1-6H3