2-[[2-oxidanyl-4-oxidanylidene-6-[4-(pyridin-3-ylmethoxy)phenyl]pyran-3-yl]oxymethyl]benzoic acid

Systemtic Name: 2-[[2-oxidanyl-4-oxidanylidene-6-[4-(pyridin-3-ylmethoxy)phenyl]pyran-3-yl]oxymethyl]benzoic acid Openeye Name: 2-[[2-hydroxy-4-oxo-6-[4-(3-pyridylmethoxy)phenyl]pyran-3-yl]oxymethyl]benzoic acid CAS Name: 2-[[2-hydroxy-4-oxo-6-[4-(3-pyridinylmethoxy)phenyl]-3-pyranyl]oxymethyl]benzoic acid IUPAC Name: 2-[[2-hydroxy-4-oxo-6-[4-(pyridin-3-ylmethoxy)phenyl]pyran-3-yl]oxymethyl]benzoic acid Traditional Name: 2-[[2-hydroxy-4-keto-6-[4-(3-pyridylmethoxy)phenyl]pyran-3-yl]oxymethyl]benzoic acid Formula: C25H19NO7 MolecularWeight: 445.42086

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COC2=C(OC(=CC2=O)C3=CC=C(C=C3)OCC4=CN=CC=C4)O)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)COC2=C(OC(=CC2=O)C3=CC=C(C=C3)OCC4=CN=CC=C4)O)C(=O)O

InChI

InChI=1S/C25H19NO7/c27-21-12-22(17-7-9-19(10-8-17)31-14-16-4-3-11-26-13-16)33-25(30)23(21)32-15-18-5-1-2-6-20(18)24(28)29/h1-13,30H,14-15H2,(H,28,29)