ditert-butyl 5-[(E)-3-[[1-[2-[(4-chlorophenyl)-methyl-carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-4-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-oxidanylidene-prop-1-enyl]-3-oxidanyl-3H-1-benzofuran-2,2-dicarboxylate

Systemtic Name: ditert-butyl 5-[(E)-3-[[1-[2-[(4-chlorophenyl)-methyl-carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-4-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-oxidanylidene-prop-1-enyl]-3-oxidanyl-3H-1-benzofuran-2,2-dicarboxylate Openeye Name: ditert-butyl 5-[(E)-3-[[1-[2-[(4-chlorophenyl)-methyl-carbamoyl]pyrrolidine-1-carbonyl]-3-hydroxy-2,2-dimethyl-propyl]amino]-3-oxo-prop-1-enyl]-3-hydroxy-3H-benzofuran-2,2-dicarboxylate CAS Name: 5-[(E)-3-[[1-[2-[(4-chloro-N-methylanilino)-oxomethyl]-1-pyrrolidinyl]-4-hydroxy-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxoprop-1-enyl]-3-hydroxy-3H-benzofuran-2,2-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 5-[(E)-3-[[1-[2-[(4-chlorophenyl)-methylcarbamoyl]pyrrolidin-1-yl]-4-hydroxy-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxoprop-1-enyl]-3-hydroxy-3H-1-benzofuran-2,2-dicarboxylate Traditional Name: 5-[(E)-3-[[1-[2-[(4-chlorophenyl)-methyl-carbamoyl]pyrrolidine-1-carbonyl]-3-hydroxy-2,2-dimethyl-propyl]amino]-3-keto-prop-1-enyl]-3-hydroxy-coumaran-2,2-dicarboxylic acid ditert-butyl ester Formula: C39H50ClN3O10 MolecularWeight: 756.2814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1(C(C2=C(O1)C=CC(=C2)C=CC(=O)NC(C(=O)N3CCCC3C(=O)N(C)C4=CC=C(C=C4)Cl)C(C)(C)CO)O)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C1(C(C2=C(O1)C=CC(=C2)/C=C/C(=O)NC(C(=O)N3CCCC3C(=O)N(C)C4=CC=C(C=C4)Cl)C(C)(C)CO)O)C(=O)OC(C)(C)C

InChI

InChI=1S/C39H50ClN3O10/c1-36(2,3)52-34(49)39(35(50)53-37(4,5)6)31(46)26-21-23(12-18-28(26)51-39)13-19-29(45)41-30(38(7,8)22-44)33(48)43-20-10-11-27(43)32(47)42(9)25-16-14-24(40)15-17-25/h12-19,21,27,30-31,44,46H,10-11,20,22H2,1-9H3,(H,41,45)/b19-13+