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

Systemtic Name: 3-[[4-oxidanyl-6-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-chromen-3-yl]methyl]benzoic acid Openeye Name: 3-[[4-hydroxy-6-(2-quinolylmethoxy)chroman-3-yl]methyl]benzoic acid CAS Name: 3-[[4-hydroxy-6-(2-quinolinylmethoxy)-3,4-dihydro-2H-1-benzopyran-3-yl]methyl]benzoic acid IUPAC Name: 3-[[4-hydroxy-6-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-chromen-3-yl]methyl]benzoic acid Traditional Name: 3-[[4-hydroxy-6-(2-quinolylmethoxy)chroman-3-yl]methyl]benzoic acid Formula: C27H23NO5 MolecularWeight: 441.47522

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C2=C(O1)C=CC(=C2)OCC3=NC4=CC=CC=C4C=C3)O)CC5=CC=CC(=C5)C(=O)O

Isomeric SMILES

C1C(C(C2=C(O1)C=CC(=C2)OCC3=NC4=CC=CC=C4C=C3)O)CC5=CC=CC(=C5)C(=O)O

InChI

InChI=1S/C27H23NO5/c29-26-20(13-17-4-3-6-19(12-17)27(30)31)15-33-25-11-10-22(14-23(25)26)32-16-21-9-8-18-5-1-2-7-24(18)28-21/h1-12,14,20,26,29H,13,15-16H2,(H,30,31)