3,3-bis[2,2-bis(4-piperidin-1-ylphenyl)ethenyl]-5-(dimethylamino)-2-benzofuran-1-one

Systemtic Name: 3,3-bis[2,2-bis(4-piperidin-1-ylphenyl)ethenyl]-5-(dimethylamino)-2-benzofuran-1-one Openeye Name: 3,3-bis[2,2-bis[4-(1-piperidyl)phenyl]vinyl]-5-(dimethylamino)isobenzofuran-1-one CAS Name: 3,3-bis[2,2-bis[4-(1-piperidinyl)phenyl]ethenyl]-5-(dimethylamino)-1-isobenzofuranone IUPAC Name: 3,3-bis[2,2-bis(4-piperidin-1-ylphenyl)ethenyl]-5-(dimethylamino)-2-benzofuran-1-one Traditional Name: 3,3-bis[2,2-bis(4-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=C(C=C3)N4CCCCC4)C5=CC=C(C=C5)N6CCCCC6)C=C(C7=CC=C(C=C7)N8CCCCC8)C9=CC=C(C=C9)N1CCCCC1

Isomeric SMILES

CN(C)C1=CC2=C(C=C1)C(=O)OC2(C=C(C3=CC=C(C=C3)N4CCCCC4)C5=CC=C(C=C5)N6CCCCC6)C=C(C7=CC=C(C=C7)N8CCCCC8)C9=CC=C(C=C9)N1CCCCC1

InChI

InChI=1S/C58H67N5O2/c1-59(2)52-31-32-53-56(41-52)58(65-57(53)64,42-54(44-15-23-48(24-16-44)60-33-7-3-8-34-60)45-17-25-49(26-18-45)61-35-9-4-10-36-61)43-55(46-19-27-50(28-20-46)62-37-11-5-12-38-62)47-21-29-51(30-22-47)63-39-13-6-14-40-63/h15-32,41-43H,3-14,33-40H2,1-2H3