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

Systemtic Name: [(2E)-2-[(1-ethylindol-3-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] cyclohexanecarboxylate Openeye Name: [(2E)-2-[(1-ethylindol-3-yl)methylene]-3-oxo-benzofuran-6-yl] cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic 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] cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid [(2E)-2-[(1-ethylindol-3-yl)methylene]-3-keto-coumaran-6-yl] ester Formula: C26H25NO4 MolecularWeight: 415.481

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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)C5CCCCC5

Isomeric SMILES

CCN1C=C(C2=CC=CC=C21)/C=C/3\C(=O)C4=C(O3)C=C(C=C4)OC(=O)C5CCCCC5

InChI

InChI=1S/C26H25NO4/c1-2-27-16-18(20-10-6-7-11-22(20)27)14-24-25(28)21-13-12-19(15-23(21)31-24)30-26(29)17-8-4-3-5-9-17/h6-7,10-17H,2-5,8-9H2,1H3/b24-14+