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

Systemtic Name: methyl 3-[[4-oxidanyl-6-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-chromen-3-yl]methyl]benzoate Openeye Name: methyl 3-[[4-hydroxy-6-(2-quinolylmethoxy)chroman-3-yl]methyl]benzoate CAS Name: 3-[[4-hydroxy-6-(2-quinolinylmethoxy)-3,4-dihydro-2H-1-benzopyran-3-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-hydroxy-6-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-chromen-3-yl]methyl]benzoate Traditional Name: 3-[[4-hydroxy-6-(2-quinolylmethoxy)chroman-3-yl]methyl]benzoic acid methyl ester Formula: C28H25NO5 MolecularWeight: 455.5018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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