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

Systemtic Name: 3,3-bis[2,2-bis(4-piperidin-1-ylphenyl)ethenyl]-2-benzofuran-1-one Openeye Name: 3,3-bis[2,2-bis[4-(1-piperidyl)phenyl]vinyl]isobenzofuran-1-one CAS Name: 3,3-bis[2,2-bis[4-(1-piperidinyl)phenyl]ethenyl]-1-isobenzofuranone IUPAC Name: 3,3-bis[2,2-bis(4-piperidin-1-ylphenyl)ethenyl]-2-benzofuran-1-one Traditional Name: 3,3-bis[2,2-bis(4-piperidinophenyl)vinyl]phthalide Formula: C56H62N4O2 MolecularWeight: 823.11708

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)C(=CC3(C4=CC=CC=C4C(=O)O3)C=C(C5=CC=C(C=C5)N6CCCCC6)C7=CC=C(C=C7)N8CCCCC8)C9=CC=C(C=C9)N1CCCCC1

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)C(=CC3(C4=CC=CC=C4C(=O)O3)C=C(C5=CC=C(C=C5)N6CCCCC6)C7=CC=C(C=C7)N8CCCCC8)C9=CC=C(C=C9)N1CCCCC1

InChI

InChI=1S/C56H62N4O2/c61-55-51-15-5-6-16-54(51)56(62-55,41-52(43-17-25-47(26-18-43)57-33-7-1-8-34-57)44-19-27-48(28-20-44)58-35-9-2-10-36-58)42-53(45-21-29-49(30-22-45)59-37-11-3-12-38-59)46-23-31-50(32-24-46)60-39-13-4-14-40-60/h5-6,15-32,41-42H,1-4,7-14,33-40H2