4,5,6,7-tetrakis(chloranyl)-3,3-bis[(Z)-2-(4-methoxyphenyl)-2-[4-(4-methylpiperidin-1-yl)phenyl]ethenyl]-2-benzofuran-1-one

Systemtic Name: 4,5,6,7-tetrakis(chloranyl)-3,3-bis[(Z)-2-(4-methoxyphenyl)-2-[4-(4-methylpiperidin-1-yl)phenyl]ethenyl]-2-benzofuran-1-one Openeye Name: 4,5,6,7-tetrachloro-3,3-bis[(Z)-2-(4-methoxyphenyl)-2-[4-(4-methyl-1-piperidyl)phenyl]vinyl]isobenzofuran-1-one CAS Name: 4,5,6,7-tetrachloro-3,3-bis[(Z)-2-(4-methoxyphenyl)-2-[4-(4-methyl-1-piperidinyl)phenyl]ethenyl]-1-isobenzofuranone IUPAC Name: 4,5,6,7-tetrachloro-3,3-bis[(Z)-2-(4-methoxyphenyl)-2-[4-(4-methylpiperidin-1-yl)phenyl]ethenyl]-2-benzofuran-1-one Traditional Name: 4,5,6,7-tetrachloro-3,3-bis[(Z)-2-(4-methoxyphenyl)-2-[4-(4-methylpiperidino)phenyl]vinyl]phthalide Formula: C50H48Cl4N2O4 MolecularWeight: 882.73912

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=CC=C(C=C2)C(=CC3(C4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)C(=O)O3)C=C(C5=CC=C(C=C5)N6CCC(CC6)C)C7=CC=C(C=C7)OC)C8=CC=C(C=C8)OC

Isomeric SMILES

CC1CCN(CC1)C2=CC=C(C=C2)/C(=C/C3(OC(=O)C4=C3C(=C(C(=C4Cl)Cl)Cl)Cl)/C=C(\C5=CC=C(C=C5)OC)/C6=CC=C(C=C6)N7CCC(CC7)C)/C8=CC=C(C=C8)OC

InChI

InChI=1S/C50H48Cl4N2O4/c1-31-21-25-55(26-22-31)37-13-5-33(6-14-37)41(35-9-17-39(58-3)18-10-35)29-50(44-43(49(57)60-50)45(51)47(53)48(54)46(44)52)30-42(36-11-19-40(59-4)20-12-36)34-7-15-38(16-8-34)56-27-23-32(2)24-28-56/h5-20,29-32H,21-28H2,1-4H3/b41-29-,42-30-