N,N'-bis[2-[2-ethyl-3,4-bis(phenylmethoxy)phenyl]ethyl]-4-oxidanylidene-heptanediamide

Systemtic Name: N,N'-bis[2-[2-ethyl-3,4-bis(phenylmethoxy)phenyl]ethyl]-4-oxidanylidene-heptanediamide Openeye Name: N,N'-bis[2-(3,4-dibenzyloxy-2-ethyl-phenyl)ethyl]-4-oxo-heptanediamide CAS Name: N,N'-bis[2-[2-ethyl-3,4-bis(phenylmethoxy)phenyl]ethyl]-4-oxoheptanediamide IUPAC Name: N,N'-bis[2-[2-ethyl-3,4-bis(phenylmethoxy)phenyl]ethyl]-4-oxoheptanediamide Traditional Name: N,N'-bis[2-(3,4-dibenzoxy-2-ethyl-phenyl)ethyl]-4-keto-pimelamide Formula: C55H60N2O7 MolecularWeight: 861.0741

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1OCC2=CC=CC=C2)OCC3=CC=CC=C3)CCNC(=O)CCC(=O)CCC(=O)NCCC4=C(C(=C(C=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)CC

Isomeric SMILES

CCC1=C(C=CC(=C1OCC2=CC=CC=C2)OCC3=CC=CC=C3)CCNC(=O)CCC(=O)CCC(=O)NCCC4=C(C(=C(C=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)CC

InChI

InChI=1S/C55H60N2O7/c1-3-48-45(25-29-50(61-37-41-17-9-5-10-18-41)54(48)63-39-43-21-13-7-14-22-43)33-35-56-52(59)31-27-47(58)28-32-53(60)57-36-34-46-26-30-51(62-38-42-19-11-6-12-20-42)55(49(46)4-2)64-40-44-23-15-8-16-24-44/h5-26,29-30H,3-4,27-28,31-40H2,1-2H3,(H,56,59)(H,57,60)