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

Systemtic Name: [(2E)-2-[(1-ethylindol-3-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-methylbenzoate Openeye Name: [(2E)-2-[(1-ethylindol-3-yl)methylene]-3-oxo-benzofuran-6-yl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [(2E)-2-[(1-ethyl-3-indolyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [(2E)-2-[(1-ethylindol-3-yl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [(2E)-2-[(1-ethylindol-3-yl)methylene]-3-keto-coumaran-6-yl] ester Formula: C27H21NO4 MolecularWeight: 423.45994

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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

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

InChI

InChI=1S/C27H21NO4/c1-3-28-16-19(21-6-4-5-7-23(21)28)14-25-26(29)22-13-12-20(15-24(22)32-25)31-27(30)18-10-8-17(2)9-11-18/h4-16H,3H2,1-2H3/b25-14+