[(2Z)-3-oxidanylidene-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] cyclohexanecarboxylate

Systemtic Name: [(2Z)-3-oxidanylidene-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] cyclohexanecarboxylate Openeye Name: [(2Z)-3-oxo-2-(4-pyridylmethylene)benzofuran-6-yl] cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic acid [(2Z)-3-oxo-2-(pyridin-4-ylmethylidene)-6-benzofuranyl] ester IUPAC Name: [(2Z)-3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid [(2Z)-3-keto-2-(4-pyridylmethylene)coumaran-6-yl] ester Formula: C21H19NO4 MolecularWeight: 349.37986

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CC=NC=C4)O3

Isomeric SMILES

C1CCC(CC1)C(=O)OC2=CC3=C(C=C2)C(=O)/C(=C/C4=CC=NC=C4)/O3

InChI

InChI=1S/C21H19NO4/c23-20-17-7-6-16(25-21(24)15-4-2-1-3-5-15)13-18(17)26-19(20)12-14-8-10-22-11-9-14/h6-13,15H,1-5H2/b19-12-