(4E)-1-(3-imidazol-1-ylpropyl)-4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-oxidanyl-methylidene]-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione

Systemtic Name: (4E)-1-(3-imidazol-1-ylpropyl)-4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-oxidanyl-methylidene]-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione Openeye Name: (4E)-5-(4-benzyloxyphenyl)-4-[hydroxy-(2-methyl-2,3-dihydrobenzofuran-5-yl)methylene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione CAS Name: (4E)-4-[hydroxy-(2-methyl-2,3-dihydrobenzofuran-5-yl)methylidene]-1-[3-(1-imidazolyl)propyl]-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione IUPAC Name: (4E)-4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(3-imidazol-1-ylpropyl)-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione Traditional Name: (4E)-5-(4-benzoxyphenyl)-4-[hydroxy-(2-methylcoumaran-5-yl)methylene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-quinone Formula: C33H31N3O5 MolecularWeight: 549.61634

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)CCCN4C=CN=C4)C5=CC=C(C=C5)OCC6=CC=CC=C6)O

Isomeric SMILES

CC1CC2=C(O1)C=CC(=C2)/C(=C\3/C(N(C(=O)C3=O)CCCN4C=CN=C4)C5=CC=C(C=C5)OCC6=CC=CC=C6)/O

InChI

InChI=1S/C33H31N3O5/c1-22-18-26-19-25(10-13-28(26)41-22)31(37)29-30(36(33(39)32(29)38)16-5-15-35-17-14-34-21-35)24-8-11-27(12-9-24)40-20-23-6-3-2-4-7-23/h2-4,6-14,17,19,21-22,30,37H,5,15-16,18,20H2,1H3/b31-29+