1-aminocarbonyloxypropyl 3-octadecyl-2-[2-(phenylcarbonyloxy)propyl]benzoate

Systemtic Name: 1-aminocarbonyloxypropyl 3-octadecyl-2-[2-(phenylcarbonyloxy)propyl]benzoate Openeye Name: 1-carbamoyloxypropyl 2-(2-benzoyloxypropyl)-3-octadecyl-benzoate CAS Name: 2-(2-benzoyloxypropyl)-3-octadecylbenzoic acid 1-carbamoyloxypropyl ester IUPAC Name: 1-carbamoyloxypropyl 2-(2-benzoyloxypropyl)-3-octadecylbenzoate Traditional Name: 2-(2-benzoyloxypropyl)-3-stearyl-benzoic acid 1-carbamoyloxypropyl ester Formula: C39H59NO6 MolecularWeight: 637.88886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=CC=CC(=C1CC(C)OC(=O)C2=CC=CC=C2)C(=O)OC(CC)OC(=O)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=CC=CC(=C1CC(C)OC(=O)C2=CC=CC=C2)C(=O)OC(CC)OC(=O)N

InChI

InChI=1S/C39H59NO6/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-25-32-28-24-29-34(38(42)45-36(5-2)46-39(40)43)35(32)30-31(3)44-37(41)33-26-22-20-23-27-33/h20,22-24,26-29,31,36H,4-19,21,25,30H2,1-3H3,(H2,40,43)