[3-methyl-2-(pentadecylcarbamoyloxymethyl)but-2-enyl] 8-bromanyloctanoate

Systemtic Name: [3-methyl-2-(pentadecylcarbamoyloxymethyl)but-2-enyl] 8-bromanyloctanoate Openeye Name: [3-methyl-2-(pentadecylcarbamoyloxymethyl)but-2-enyl] 8-bromooctanoate CAS Name: 8-bromooctanoic acid [3-methyl-2-[[oxo-(pentadecylamino)methoxy]methyl]but-2-enyl] ester IUPAC Name: [3-methyl-2-(pentadecylcarbamoyloxymethyl)but-2-enyl] 8-bromooctanoate Traditional Name: 8-bromocaprylic acid [3-methyl-2-(pentadecylcarbamoyloxymethyl)but-2-enyl] ester Formula: C30H56BrNO4 MolecularWeight: 574.67394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCNC(=O)OCC(=C(C)C)COC(=O)CCCCCCCBr

Isomeric SMILES

CCCCCCCCCCCCCCCNC(=O)OCC(=C(C)C)COC(=O)CCCCCCCBr

InChI

InChI=1S/C30H56BrNO4/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24-32-30(34)36-26-28(27(2)3)25-35-29(33)22-19-16-15-17-20-23-31/h4-26H2,1-3H3,(H,32,34)