4,5,6,7-tetrakis(chloranyl)-3,3-bis[(Z)-2-[4-(2-methylpropoxy)phenyl]-2-(4-pyrrolidin-1-ylphenyl)ethenyl]-2-benzofuran-1-one

Systemtic Name: 4,5,6,7-tetrakis(chloranyl)-3,3-bis[(Z)-2-[4-(2-methylpropoxy)phenyl]-2-(4-pyrrolidin-1-ylphenyl)ethenyl]-2-benzofuran-1-one Openeye Name: 4,5,6,7-tetrachloro-3,3-bis[(Z)-2-(4-isobutoxyphenyl)-2-(4-pyrrolidin-1-ylphenyl)vinyl]isobenzofuran-1-one CAS Name: 4,5,6,7-tetrachloro-3,3-bis[(Z)-2-[4-(2-methylpropoxy)phenyl]-2-[4-(1-pyrrolidinyl)phenyl]ethenyl]-1-isobenzofuranone IUPAC Name: 4,5,6,7-tetrachloro-3,3-bis[(Z)-2-[4-(2-methylpropoxy)phenyl]-2-(4-pyrrolidin-1-ylphenyl)ethenyl]-2-benzofuran-1-one Traditional Name: 4,5,6,7-tetrachloro-3,3-bis[(Z)-2-(4-isobutoxyphenyl)-2-(4-pyrrolidinophenyl)vinyl]phthalide Formula: C52H52Cl4N2O4 MolecularWeight: 910.79228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C(=CC2(C3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)C(=O)O2)C=C(C4=CC=C(C=C4)N5CCCC5)C6=CC=C(C=C6)OCC(C)C)C7=CC=C(C=C7)N8CCCC8

Isomeric SMILES

CC(COC1=CC=C(C=C1)/C(=C\C2(OC(=O)C3=C2C(=C(C(=C3Cl)Cl)Cl)Cl)/C=C(\C4=CC=C(C=C4)OCC(C)C)/C5=CC=C(C=C5)N6CCCC6)/C7=CC=C(C=C7)N8CCCC8)C

InChI

InChI=1S/C52H52Cl4N2O4/c1-33(2)31-60-41-21-13-37(14-22-41)43(35-9-17-39(18-10-35)57-25-5-6-26-57)29-52(46-45(51(59)62-52)47(53)49(55)50(56)48(46)54)30-44(38-15-23-42(24-16-38)61-32-34(3)4)36-11-19-40(20-12-36)58-27-7-8-28-58/h9-24,29-30,33-34H,5-8,25-28,31-32H2,1-4H3/b43-29-,44-30-