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

Systemtic Name: 3,3-bis[2,2-bis(4-pyrrolidin-1-ylphenyl)ethenyl]-2-benzofuran-1-one Openeye Name: 3,3-bis[2,2-bis(4-pyrrolidin-1-ylphenyl)vinyl]isobenzofuran-1-one CAS Name: 3,3-bis[2,2-bis[4-(1-pyrrolidinyl)phenyl]ethenyl]-1-isobenzofuranone IUPAC Name: 3,3-bis[2,2-bis(4-pyrrolidin-1-ylphenyl)ethenyl]-2-benzofuran-1-one Traditional Name: 3,3-bis[2,2-bis(4-pyrrolidinophenyl)vinyl]phthalide Formula: C52H54N4O2 MolecularWeight: 767.01076

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)C(=CC3(C4=CC=CC=C4C(=O)O3)C=C(C5=CC=C(C=C5)N6CCCC6)C7=CC=C(C=C7)N8CCCC8)C9=CC=C(C=C9)N1CCCC1

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)C(=CC3(C4=CC=CC=C4C(=O)O3)C=C(C5=CC=C(C=C5)N6CCCC6)C7=CC=C(C=C7)N8CCCC8)C9=CC=C(C=C9)N1CCCC1

InChI

InChI=1S/C52H54N4O2/c57-51-47-11-1-2-12-50(47)52(58-51,37-48(39-13-21-43(22-14-39)53-29-3-4-30-53)40-15-23-44(24-16-40)54-31-5-6-32-54)38-49(41-17-25-45(26-18-41)55-33-7-8-34-55)42-19-27-46(28-20-42)56-35-9-10-36-56/h1-2,11-28,37-38H,3-10,29-36H2