[3-oxidanylidene-2-(pyridin-3-ylmethylidene)-1-benzofuran-6-yl] 4-tert-butylbenzoate

Systemtic Name: [3-oxidanylidene-2-(pyridin-3-ylmethylidene)-1-benzofuran-6-yl] 4-tert-butylbenzoate Openeye Name: [3-oxo-2-(3-pyridylmethylene)benzofuran-6-yl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [3-oxo-2-(3-pyridinylmethylidene)-6-benzofuranyl] ester IUPAC Name: [3-oxo-2-(pyridin-3-ylmethylidene)-1-benzofuran-6-yl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [3-keto-2-(3-pyridylmethylene)coumaran-6-yl] ester Formula: C25H21NO4 MolecularWeight: 399.43854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CN=CC=C4)O3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CN=CC=C4)O3

InChI

InChI=1S/C25H21NO4/c1-25(2,3)18-8-6-17(7-9-18)24(28)29-19-10-11-20-21(14-19)30-22(23(20)27)13-16-5-4-12-26-15-16/h4-15H,1-3H3