[2-[1-(2-acetyloxy-4-pyrrolidin-1-yl-phenyl)-2-[1-[2,2-bis(2-acetyloxy-4-pyrrolidin-1-yl-phenyl)ethenyl]-4,5,6,7-tetrakis(chloranyl)-3-oxidanylidene-2-benzofuran-1-yl]ethenyl]-5-pyrrolidin-1-yl-phenyl] ethanoate

Systemtic Name: [2-[1-(2-acetyloxy-4-pyrrolidin-1-yl-phenyl)-2-[1-[2,2-bis(2-acetyloxy-4-pyrrolidin-1-yl-phenyl)ethenyl]-4,5,6,7-tetrakis(chloranyl)-3-oxidanylidene-2-benzofuran-1-yl]ethenyl]-5-pyrrolidin-1-yl-phenyl] ethanoate Openeye Name: [2-[1-(2-acetoxy-4-pyrrolidin-1-yl-phenyl)-2-[1-[2,2-bis(2-acetoxy-4-pyrrolidin-1-yl-phenyl)vinyl]-4,5,6,7-tetrachloro-3-oxo-isobenzofuran-1-yl]vinyl]-5-pyrrolidin-1-yl-phenyl] acetate CAS Name: acetic acid [2-[1-[2-acetyloxy-4-(1-pyrrolidinyl)phenyl]-2-[1-[2,2-bis[2-acetyloxy-4-(1-pyrrolidinyl)phenyl]ethenyl]-4,5,6,7-tetrachloro-3-oxo-1-isobenzofuranyl]ethenyl]-5-(1-pyrrolidinyl)phenyl] ester IUPAC Name: [2-[1-(2-acetyloxy-4-pyrrolidin-1-ylphenyl)-2-[1-[2,2-bis(2-acetyloxy-4-pyrrolidin-1-ylphenyl)ethenyl]-4,5,6,7-tetrachloro-3-oxo-2-benzofuran-1-yl]ethenyl]-5-pyrrolidin-1-ylphenyl] acetate Traditional Name: acetic acid [2-[1-(2-acetoxy-4-pyrrolidino-phenyl)-2-[1-[2,2-bis(2-acetoxy-4-pyrrolidino-phenyl)vinyl]-4,5,6,7-tetrachloro-3-keto-phthalan-1-yl]vinyl]-5-pyrrolidino-phenyl] ester Formula: C60H58Cl4N4O10 MolecularWeight: 1136.93532

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=CC(=C1)N2CCCC2)C(=CC3(C4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)C(=O)O3)C=C(C5=C(C=C(C=C5)N6CCCC6)OC(=O)C)C7=C(C=C(C=C7)N8CCCC8)OC(=O)C)C9=C(C=C(C=C9)N1CCCC1)OC(=O)C

Isomeric SMILES

CC(=O)OC1=C(C=CC(=C1)N2CCCC2)C(=CC3(C4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)C(=O)O3)C=C(C5=C(C=C(C=C5)N6CCCC6)OC(=O)C)C7=C(C=C(C=C7)N8CCCC8)OC(=O)C)C9=C(C=C(C=C9)N1CCCC1)OC(=O)C

InChI

InChI=1S/C60H58Cl4N4O10/c1-35(69)74-49-29-39(65-21-5-6-22-65)13-17-43(49)47(44-18-14-40(66-23-7-8-24-66)30-50(44)75-36(2)70)33-60(54-53(59(73)78-60)55(61)57(63)58(64)56(54)62)34-48(45-19-15-41(67-25-9-10-26-67)31-51(45)76-37(3)71)46-20-16-42(68-27-11-12-28-68)32-52(46)77-38(4)72/h13-20,29-34H,5-12,21-28H2,1-4H3