3,3-bis[2,2-bis(2-piperidin-1-ylphenyl)ethenyl]-5-(dimethylamino)-2-benzofuran-1-one

Systemtic Name: 3,3-bis[2,2-bis(2-piperidin-1-ylphenyl)ethenyl]-5-(dimethylamino)-2-benzofuran-1-one Openeye Name: 3,3-bis[2,2-bis[2-(1-piperidyl)phenyl]vinyl]-5-(dimethylamino)isobenzofuran-1-one CAS Name: 3,3-bis[2,2-bis[2-(1-piperidinyl)phenyl]ethenyl]-5-(dimethylamino)-1-isobenzofuranone IUPAC Name: 3,3-bis[2,2-bis(2-piperidin-1-ylphenyl)ethenyl]-5-(dimethylamino)-2-benzofuran-1-one Traditional Name: 3,3-bis[2,2-bis(2-piperidinophenyl)vinyl]-5-(dimethylamino)phthalide Formula: C58H67N5O2 MolecularWeight: 866.18488

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC2=C(C=C1)C(=O)OC2(C=C(C3=CC=CC=C3N4CCCCC4)C5=CC=CC=C5N6CCCCC6)C=C(C7=CC=CC=C7N8CCCCC8)C9=CC=CC=C9N1CCCCC1

Isomeric SMILES

CN(C)C1=CC2=C(C=C1)C(=O)OC2(C=C(C3=CC=CC=C3N4CCCCC4)C5=CC=CC=C5N6CCCCC6)C=C(C7=CC=CC=C7N8CCCCC8)C9=CC=CC=C9N1CCCCC1

InChI

InChI=1S/C58H67N5O2/c1-59(2)44-31-32-49-52(41-44)58(65-57(49)64,42-50(45-23-7-11-27-53(45)60-33-15-3-16-34-60)46-24-8-12-28-54(46)61-35-17-4-18-36-61)43-51(47-25-9-13-29-55(47)62-37-19-5-20-38-62)48-26-10-14-30-56(48)63-39-21-6-22-40-63/h7-14,23-32,41-43H,3-6,15-22,33-40H2,1-2H3