N,N-diethyl-6-[(3S,4R,5R)-2-oxidanyl-6-oxidanylidene-3,4,5-tris(phenylmethoxy)cyclohexyl]-4-phenylmethoxy-1,3-benzodioxole-5-carboxamide

Systemtic Name: N,N-diethyl-6-[(3S,4R,5R)-2-oxidanyl-6-oxidanylidene-3,4,5-tris(phenylmethoxy)cyclohexyl]-4-phenylmethoxy-1,3-benzodioxole-5-carboxamide Openeye Name: 4-benzyloxy-N,N-diethyl-6-[(3S,4R,5R)-3,4,5-tribenzyloxy-2-hydroxy-6-oxo-cyclohexyl]-1,3-benzodioxole-5-carboxamide CAS Name: N,N-diethyl-6-[(3S,4R,5R)-2-hydroxy-6-oxo-3,4,5-tris(phenylmethoxy)cyclohexyl]-4-phenylmethoxy-1,3-benzodioxole-5-carboxamide IUPAC Name: N,N-diethyl-6-[(3S,4R,5R)-2-hydroxy-6-oxo-3,4,5-tris(phenylmethoxy)cyclohexyl]-4-phenylmethoxy-1,3-benzodioxole-5-carboxamide Traditional Name: 4-benzoxy-N,N-diethyl-6-[(3S,4R,5R)-3,4,5-tribenzoxy-2-hydroxy-6-keto-cyclohexyl]-piperonylamide Formula: C46H47NO9 MolecularWeight: 757.86668

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C2=C(C=C1C3C(C(C(C(C3=O)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)O)OCO2)OCC7=CC=CC=C7

Isomeric SMILES

CCN(CC)C(=O)C1=C(C2=C(C=C1C3C([C@@H]([C@H]([C@H](C3=O)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)O)OCO2)OCC7=CC=CC=C7

InChI

InChI=1S/C46H47NO9/c1-3-47(4-2)46(50)38-35(25-36-41(56-30-55-36)42(38)51-26-31-17-9-5-10-18-31)37-39(48)43(52-27-32-19-11-6-12-20-32)45(54-29-34-23-15-8-16-24-34)44(40(37)49)53-28-33-21-13-7-14-22-33/h5-25,37,39,43-45,48H,3-4,26-30H2,1-2H3/t37?,39?,43-,44-,45+/m0/s1