(phenylmethyl) 2-[3,5-bis(2-oxidanylidene-1-phenyl-2-phenylmethoxy-ethyl)-1,3,5-triazinan-1-yl]-2-phenyl-ethanoate

Systemtic Name: (phenylmethyl) 2-[3,5-bis(2-oxidanylidene-1-phenyl-2-phenylmethoxy-ethyl)-1,3,5-triazinan-1-yl]-2-phenyl-ethanoate Openeye Name: benzyl 2-[3,5-bis(2-benzyloxy-2-oxo-1-phenyl-ethyl)-1,3,5-triazinan-1-yl]-2-phenyl-acetate CAS Name: 2-[3,5-bis(2-oxo-1-phenyl-2-phenylmethoxyethyl)-1,3,5-triazinan-1-yl]-2-phenylacetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3,5-bis(2-oxo-1-phenyl-2-phenylmethoxyethyl)-1,3,5-triazinan-1-yl]-2-phenylacetate Traditional Name: 2-[3,5-bis(2-benzoxy-2-keto-1-phenyl-ethyl)-1,3,5-triazinan-1-yl]-2-phenyl-acetic acid benzyl ester Formula: C48H45N3O6 MolecularWeight: 759.8874

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Descriptors Computed from Structure

Canonical SMILES:

C1N(CN(CN1C(C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C(C4=CC=CC=C4)C(=O)OCC5=CC=CC=C5)C(C6=CC=CC=C6)C(=O)OCC7=CC=CC=C7

Isomeric SMILES

C1N(CN(CN1C(C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C(C4=CC=CC=C4)C(=O)OCC5=CC=CC=C5)C(C6=CC=CC=C6)C(=O)OCC7=CC=CC=C7

InChI

InChI=1S/C48H45N3O6/c52-46(55-31-37-19-7-1-8-20-37)43(40-25-13-4-14-26-40)49-34-50(44(41-27-15-5-16-28-41)47(53)56-32-38-21-9-2-10-22-38)36-51(35-49)45(42-29-17-6-18-30-42)48(54)57-33-39-23-11-3-12-24-39/h1-30,43-45H,31-36H2