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

Systemtic Name: 3-[(4-oxidanyl-6-quinolin-2-yloxy-3,4-dihydro-2H-chromen-3-yl)methyl]benzoic acid Openeye Name: 3-[[4-hydroxy-6-(2-quinolyloxy)chroman-3-yl]methyl]benzoic acid CAS Name: 3-[[4-hydroxy-6-(2-quinolinyloxy)-3,4-dihydro-2H-1-benzopyran-3-yl]methyl]benzoic acid IUPAC Name: 3-[(4-hydroxy-6-quinolin-2-yloxy-3,4-dihydro-2H-chromen-3-yl)methyl]benzoic acid Traditional Name: 3-[[4-hydroxy-6-(2-quinolyloxy)chroman-3-yl]methyl]benzoic acid Formula: C26H21NO5 MolecularWeight: 427.44864

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C2=C(O1)C=CC(=C2)OC3=NC4=CC=CC=C4C=C3)O)CC5=CC=CC(=C5)C(=O)O

Isomeric SMILES

C1C(C(C2=C(O1)C=CC(=C2)OC3=NC4=CC=CC=C4C=C3)O)CC5=CC=CC(=C5)C(=O)O

InChI

InChI=1S/C26H21NO5/c28-25-19(13-16-4-3-6-18(12-16)26(29)30)15-31-23-10-9-20(14-21(23)25)32-24-11-8-17-5-1-2-7-22(17)27-24/h1-12,14,19,25,28H,13,15H2,(H,29,30)