bis[2-(2-methoxyethoxy)ethyl] 5-[(E)-3-[[1-[2-[(4-iodophenyl)-methyl-carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]amino]-3-oxidanylidene-prop-1-enyl]-3H-1-benzofuran-2,2-dicarboxylate

Systemtic Name: bis[2-(2-methoxyethoxy)ethyl] 5-[(E)-3-[[1-[2-[(4-iodophenyl)-methyl-carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]amino]-3-oxidanylidene-prop-1-enyl]-3H-1-benzofuran-2,2-dicarboxylate Openeye Name: bis[2-(2-methoxyethoxy)ethyl] 5-[(E)-3-[[1-[2-[(4-iodophenyl)-methyl-carbamoyl]pyrrolidine-1-carbonyl]-2,2-dimethyl-propyl]amino]-3-oxo-prop-1-enyl]-3H-benzofuran-2,2-dicarboxylate CAS Name: 5-[(E)-3-[[1-[2-[(4-iodo-N-methylanilino)-oxomethyl]-1-pyrrolidinyl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxoprop-1-enyl]-3H-benzofuran-2,2-dicarboxylic acid bis[2-(2-methoxyethoxy)ethyl] ester IUPAC Name: bis[2-(2-methoxyethoxy)ethyl] 5-[(E)-3-[[1-[2-[(4-iodophenyl)-methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxoprop-1-enyl]-3H-1-benzofuran-2,2-dicarboxylate Traditional Name: 5-[(E)-3-[[1-[2-[(4-iodophenyl)-methyl-carbamoyl]pyrrolidine-1-carbonyl]-2,2-dimethyl-propyl]amino]-3-keto-prop-1-enyl]coumaran-2,2-dicarboxylic acid bis[2-(2-methoxyethoxy)ethyl] ester Formula: C41H54IN3O12 MolecularWeight: 907.78483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)N1CCCC1C(=O)N(C)C2=CC=C(C=C2)I)NC(=O)C=CC3=CC4=C(C=C3)OC(C4)(C(=O)OCCOCCOC)C(=O)OCCOCCOC

Isomeric SMILES

CC(C)(C)C(C(=O)N1CCCC1C(=O)N(C)C2=CC=C(C=C2)I)NC(=O)/C=C/C3=CC4=C(C=C3)OC(C4)(C(=O)OCCOCCOC)C(=O)OCCOCCOC

InChI

InChI=1S/C41H54IN3O12/c1-40(2,3)35(37(48)45-17-7-8-32(45)36(47)44(4)31-13-11-30(42)12-14-31)43-34(46)16-10-28-9-15-33-29(26-28)27-41(57-33,38(49)55-24-22-53-20-18-51-5)39(50)56-25-23-54-21-19-52-6/h9-16,26,32,35H,7-8,17-25,27H2,1-6H3,(H,43,46)/b16-10+