2-methoxy-5-[[4-oxidanyl-6-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-chromen-3-yl]methyl]benzoic acid

Systemtic Name: 2-methoxy-5-[[4-oxidanyl-6-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-chromen-3-yl]methyl]benzoic acid Openeye Name: 5-[[4-hydroxy-6-(2-quinolylmethoxy)chroman-3-yl]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[4-hydroxy-6-(2-quinolinylmethoxy)-3,4-dihydro-2H-1-benzopyran-3-yl]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[4-hydroxy-6-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[4-hydroxy-6-(2-quinolylmethoxy)chroman-3-yl]methyl]-2-methoxy-benzoic acid Formula: C28H25NO6 MolecularWeight: 471.5012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2COC3=C(C2O)C=C(C=C3)OCC4=NC5=CC=CC=C5C=C4)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CC2COC3=C(C2O)C=C(C=C3)OCC4=NC5=CC=CC=C5C=C4)C(=O)O

InChI

InChI=1S/C28H25NO6/c1-33-25-10-6-17(13-23(25)28(31)32)12-19-15-35-26-11-9-21(14-22(26)27(19)30)34-16-20-8-7-18-4-2-3-5-24(18)29-20/h2-11,13-14,19,27,30H,12,15-16H2,1H3,(H,31,32)