3-[[4-oxidanyl-6-(1-quinolin-2-ylethoxy)-3,4-dihydro-2H-chromen-3-yl]methyl]benzoic acid

Systemtic Name: 3-[[4-oxidanyl-6-(1-quinolin-2-ylethoxy)-3,4-dihydro-2H-chromen-3-yl]methyl]benzoic acid Openeye Name: 3-[[4-hydroxy-6-[1-(2-quinolyl)ethoxy]chroman-3-yl]methyl]benzoic acid CAS Name: 3-[[4-hydroxy-6-[1-(2-quinolinyl)ethoxy]-3,4-dihydro-2H-1-benzopyran-3-yl]methyl]benzoic acid IUPAC Name: 3-[[4-hydroxy-6-(1-quinolin-2-ylethoxy)-3,4-dihydro-2H-chromen-3-yl]methyl]benzoic acid Traditional Name: 3-[[4-hydroxy-6-[1-(2-quinolyl)ethoxy]chroman-3-yl]methyl]benzoic acid Formula: C28H25NO5 MolecularWeight: 455.5018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2C=C1)OC3=CC4=C(C=C3)OCC(C4O)CC5=CC=CC(=C5)C(=O)O

Isomeric SMILES

CC(C1=NC2=CC=CC=C2C=C1)OC3=CC4=C(C=C3)OCC(C4O)CC5=CC=CC(=C5)C(=O)O

InChI

InChI=1S/C28H25NO5/c1-17(24-11-9-19-6-2-3-8-25(19)29-24)34-22-10-12-26-23(15-22)27(30)21(16-33-26)14-18-5-4-7-20(13-18)28(31)32/h2-13,15,17,21,27,30H,14,16H2,1H3,(H,31,32)