[3,5-dimethyl-2-oxidanylidene-6-(5-phenylmethoxy-1-benzofuran-2-yl)pyran-4-yl] pyridine-4-carboxylate

Systemtic Name: [3,5-dimethyl-2-oxidanylidene-6-(5-phenylmethoxy-1-benzofuran-2-yl)pyran-4-yl] pyridine-4-carboxylate Openeye Name: [2-(5-benzyloxybenzofuran-2-yl)-3,5-dimethyl-6-oxo-pyran-4-yl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [3,5-dimethyl-2-oxo-6-(5-phenylmethoxy-2-benzofuranyl)-4-pyranyl] ester IUPAC Name: [3,5-dimethyl-2-oxo-6-(5-phenylmethoxy-1-benzofuran-2-yl)pyran-4-yl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [2-(5-benzoxybenzofuran-2-yl)-6-keto-3,5-dimethyl-pyran-4-yl] ester Formula: C28H21NO6 MolecularWeight: 467.46944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=O)C(=C1OC(=O)C2=CC=NC=C2)C)C3=CC4=C(O3)C=CC(=C4)OCC5=CC=CC=C5

Isomeric SMILES

CC1=C(OC(=O)C(=C1OC(=O)C2=CC=NC=C2)C)C3=CC4=C(O3)C=CC(=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C28H21NO6/c1-17-25(34-28(31)20-10-12-29-13-11-20)18(2)27(30)35-26(17)24-15-21-14-22(8-9-23(21)33-24)32-16-19-6-4-3-5-7-19/h3-15H,16H2,1-2H3