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

Systemtic Name: (phenylmethyl) 3-[1-[6-(dimethylamino)hexyl]-3,5-dimethyl-4-octadecanoyl-pyrrol-2-yl]propanoate Openeye Name: benzyl 3-[1-[6-(dimethylamino)hexyl]-3,5-dimethyl-4-octadecanoyl-pyrrol-2-yl]propanoate CAS Name: 3-[1-[6-(dimethylamino)hexyl]-3,5-dimethyl-4-(1-oxooctadecyl)-2-pyrrolyl]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[1-[6-(dimethylamino)hexyl]-3,5-dimethyl-4-octadecanoylpyrrol-2-yl]propanoate Traditional Name: 3-[1-[6-(dimethylamino)hexyl]-3,5-dimethyl-4-stearoyl-pyrrol-2-yl]propionic acid benzyl ester Formula: C42H70N2O3 MolecularWeight: 651.0168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C1=C(N(C(=C1C)CCC(=O)OCC2=CC=CC=C2)CCCCCCN(C)C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C1=C(N(C(=C1C)CCC(=O)OCC2=CC=CC=C2)CCCCCCN(C)C)C

InChI

InChI=1S/C42H70N2O3/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25-30-40(45)42-36(2)39(31-32-41(46)47-35-38-28-23-22-24-29-38)44(37(42)3)34-27-21-20-26-33-43(4)5/h22-24,28-29H,6-21,25-27,30-35H2,1-5H3