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

Systemtic Name: 3,3-bis[2,2-bis(4-pyrrolidin-1-ylphenyl)ethenyl]-5-methyl-2-benzofuran-1-one Openeye Name: 3,3-bis[2,2-bis(4-pyrrolidin-1-ylphenyl)vinyl]-5-methyl-isobenzofuran-1-one CAS Name: 3,3-bis[2,2-bis[4-(1-pyrrolidinyl)phenyl]ethenyl]-5-methyl-1-isobenzofuranone IUPAC Name: 3,3-bis[2,2-bis(4-pyrrolidin-1-ylphenyl)ethenyl]-5-methyl-2-benzofuran-1-one Traditional Name: 3,3-bis[2,2-bis(4-pyrrolidinophenyl)vinyl]-5-methyl-phthalide Formula: C53H56N4O2 MolecularWeight: 781.03734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C53H56N4O2/c1-39-10-27-48-51(36-39)53(59-52(48)58,37-49(40-11-19-44(20-12-40)54-28-2-3-29-54)41-13-21-45(22-14-41)55-30-4-5-31-55)38-50(42-15-23-46(24-16-42)56-32-6-7-33-56)43-17-25-47(26-18-43)57-34-8-9-35-57/h10-27,36-38H,2-9,28-35H2,1H3