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

Systemtic Name: (phenylmethyl) 3-[1-(6-bromanylhexyl)-3,5-dimethyl-4-octadecanoyl-pyrrol-2-yl]propanoate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C40H64BrNO3 MolecularWeight: 686.84506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C40H64BrNO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-28-38(43)40-34(2)37(42(35(40)3)32-25-19-18-24-31-41)29-30-39(44)45-33-36-26-21-20-22-27-36/h20-22,26-27H,4-19,23-25,28-33H2,1-3H3