3,3-bis[(E)-2-(4-dimethylaminophenyl)-2-(4-methoxyphenyl)ethenyl]-6-pyrrolidin-1-yl-2-benzofuran-1-one

Systemtic Name: 3,3-bis[(E)-2-(4-dimethylaminophenyl)-2-(4-methoxyphenyl)ethenyl]-6-pyrrolidin-1-yl-2-benzofuran-1-one Openeye Name: 3,3-bis[(E)-2-(4-dimethylaminophenyl)-2-(4-methoxyphenyl)vinyl]-6-pyrrolidin-1-yl-isobenzofuran-1-one CAS Name: 3,3-bis[(E)-2-(4-dimethylaminophenyl)-2-(4-methoxyphenyl)ethenyl]-6-(1-pyrrolidinyl)-1-isobenzofuranone IUPAC Name: 3,3-bis[(E)-2-(4-dimethylaminophenyl)-2-(4-methoxyphenyl)ethenyl]-6-pyrrolidin-1-yl-2-benzofuran-1-one Traditional Name: 3,3-bis[(E)-2-(4-dimethylaminophenyl)-2-(4-methoxyphenyl)vinyl]-6-pyrrolidino-phthalide Formula: C46H47N3O4 MolecularWeight: 705.88308

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(=CC2(C3=C(C=C(C=C3)N4CCCC4)C(=O)O2)C=C(C5=CC=C(C=C5)N(C)C)C6=CC=C(C=C6)OC)C7=CC=C(C=C7)OC

Isomeric SMILES

CN(C1=CC=C(C=C1)/C(=C\C2(OC(=O)C3=C2C=CC(=C3)N4CCCC4)/C=C(/C5=CC=C(C=C5)OC)\C6=CC=C(C=C6)N(C)C)/C7=CC=C(C=C7)OC)C

InChI

InChI=1S/C46H47N3O4/c1-47(2)36-17-9-32(10-18-36)42(34-13-22-39(51-5)23-14-34)30-46(44-26-21-38(49-27-7-8-28-49)29-41(44)45(50)53-46)31-43(35-15-24-40(52-6)25-16-35)33-11-19-37(20-12-33)48(3)4/h9-26,29-31H,7-8,27-28H2,1-6H3/b42-30+,43-31+