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

Systemtic Name: methyl 3-[1-(6-bromanylhexyl)-3,5-dimethyl-4-octadecanoyl-pyrrol-2-yl]propanoate Openeye Name: methyl 3-[1-(6-bromohexyl)-3,5-dimethyl-4-octadecanoyl-pyrrol-2-yl]propanoate CAS Name: 3-[1-(6-bromohexyl)-3,5-dimethyl-4-(1-oxooctadecyl)-2-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[1-(6-bromohexyl)-3,5-dimethyl-4-octadecanoylpyrrol-2-yl]propanoate Traditional Name: 3-[1-(6-bromohexyl)-3,5-dimethyl-4-stearoyl-pyrrol-2-yl]propionic acid methyl ester Formula: C34H60BrNO3 MolecularWeight: 610.7491

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H60BrNO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-32(37)34-29(2)31(25-26-33(38)39-4)36(30(34)3)28-23-20-19-22-27-35/h5-28H2,1-4H3