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

Systemtic Name: 3,3-bis[2,2-bis(4-pyrrolidin-1-ylphenyl)ethenyl]-5-ethoxy-2-benzofuran-1-one Openeye Name: 3,3-bis[2,2-bis(4-pyrrolidin-1-ylphenyl)vinyl]-5-ethoxy-isobenzofuran-1-one CAS Name: 3,3-bis[2,2-bis[4-(1-pyrrolidinyl)phenyl]ethenyl]-5-ethoxy-1-isobenzofuranone IUPAC Name: 3,3-bis[2,2-bis(4-pyrrolidin-1-ylphenyl)ethenyl]-5-ethoxy-2-benzofuran-1-one Traditional Name: 3,3-bis[2,2-bis(4-pyrrolidinophenyl)vinyl]-5-ethoxy-phthalide Formula: C54H58N4O3 MolecularWeight: 811.06332

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)C(=O)OC2(C=C(C3=CC=C(C=C3)N4CCCC4)C5=CC=C(C=C5)N6CCCC6)C=C(C7=CC=C(C=C7)N8CCCC8)C9=CC=C(C=C9)N1CCCC1

Isomeric SMILES

CCOC1=CC2=C(C=C1)C(=O)OC2(C=C(C3=CC=C(C=C3)N4CCCC4)C5=CC=C(C=C5)N6CCCC6)C=C(C7=CC=C(C=C7)N8CCCC8)C9=CC=C(C=C9)N1CCCC1

InChI

InChI=1S/C54H58N4O3/c1-2-60-48-27-28-49-52(37-48)54(61-53(49)59,38-50(40-11-19-44(20-12-40)55-29-3-4-30-55)41-13-21-45(22-14-41)56-31-5-6-32-56)39-51(42-15-23-46(24-16-42)57-33-7-8-34-57)43-17-25-47(26-18-43)58-35-9-10-36-58/h11-28,37-39H,2-10,29-36H2,1H3