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

Systemtic Name: [3-oxidanylidene-2-(pyridin-3-ylmethylidene)-1-benzofuran-6-yl] cyclohexanecarboxylate Openeye Name: [3-oxo-2-(3-pyridylmethylene)benzofuran-6-yl] cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic acid [3-oxo-2-(3-pyridinylmethylidene)-6-benzofuranyl] ester IUPAC Name: [3-oxo-2-(pyridin-3-ylmethylidene)-1-benzofuran-6-yl] cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid [3-keto-2-(3-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=CN=CC=C4)O3

Isomeric SMILES

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

InChI

InChI=1S/C21H19NO4/c23-20-17-9-8-16(25-21(24)15-6-2-1-3-7-15)12-18(17)26-19(20)11-14-5-4-10-22-13-14/h4-5,8-13,15H,1-3,6-7H2