3-[[4-oxidanyl-6-(pyridin-2-ylmethoxy)-3,4-dihydro-2H-chromen-3-yl]methyl]benzoic acid

Systemtic Name: 3-[[4-oxidanyl-6-(pyridin-2-ylmethoxy)-3,4-dihydro-2H-chromen-3-yl]methyl]benzoic acid Openeye Name: 3-[[4-hydroxy-6-(2-pyridylmethoxy)chroman-3-yl]methyl]benzoic acid CAS Name: 3-[[4-hydroxy-6-(2-pyridinylmethoxy)-3,4-dihydro-2H-1-benzopyran-3-yl]methyl]benzoic acid IUPAC Name: 3-[[4-hydroxy-6-(pyridin-2-ylmethoxy)-3,4-dihydro-2H-chromen-3-yl]methyl]benzoic acid Traditional Name: 3-[[4-hydroxy-6-(2-pyridylmethoxy)chroman-3-yl]methyl]benzoic acid Formula: C23H21NO5 MolecularWeight: 391.41654

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C2=C(O1)C=CC(=C2)OCC3=CC=CC=N3)O)CC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1C(C(C2=C(O1)C=CC(=C2)OCC3=CC=CC=N3)O)CC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C23H21NO5/c25-22-17(11-15-4-3-5-16(10-15)23(26)27)13-29-21-8-7-19(12-20(21)22)28-14-18-6-1-2-9-24-18/h1-10,12,17,22,25H,11,13-14H2,(H,26,27)