[(2E)-2-[(1-ethylindol-3-yl)methylidene]-7-methyl-3-oxidanylidene-1-benzofuran-6-yl] 4-methylbenzoate

Systemtic Name: [(2E)-2-[(1-ethylindol-3-yl)methylidene]-7-methyl-3-oxidanylidene-1-benzofuran-6-yl] 4-methylbenzoate Openeye Name: [(2E)-2-[(1-ethylindol-3-yl)methylene]-7-methyl-3-oxo-benzofuran-6-yl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [(2E)-2-[(1-ethyl-3-indolyl)methylidene]-7-methyl-3-oxo-6-benzofuranyl] ester IUPAC Name: [(2E)-2-[(1-ethylindol-3-yl)methylidene]-7-methyl-3-oxo-1-benzofuran-6-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [(2E)-2-[(1-ethylindol-3-yl)methylene]-3-keto-7-methyl-coumaran-6-yl] ester Formula: C28H23NO4 MolecularWeight: 437.48652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC=CC=C21)C=C3C(=O)C4=C(O3)C(=C(C=C4)OC(=O)C5=CC=C(C=C5)C)C

Isomeric SMILES

CCN1C=C(C2=CC=CC=C21)/C=C/3\C(=O)C4=C(O3)C(=C(C=C4)OC(=O)C5=CC=C(C=C5)C)C

InChI

InChI=1S/C28H23NO4/c1-4-29-16-20(21-7-5-6-8-23(21)29)15-25-26(30)22-13-14-24(18(3)27(22)32-25)33-28(31)19-11-9-17(2)10-12-19/h5-16H,4H2,1-3H3/b25-15+