2-[(4-methoxyphenyl)methyl]-6-[(4-oxidanyl-3,4-dihydro-2H-chromen-3-yl)oxymethyl]quinoline-3-carboxylic acid

Systemtic Name: 2-[(4-methoxyphenyl)methyl]-6-[(4-oxidanyl-3,4-dihydro-2H-chromen-3-yl)oxymethyl]quinoline-3-carboxylic acid Openeye Name: 6-[(4-hydroxychroman-3-yl)oxymethyl]-2-[(4-methoxyphenyl)methyl]quinoline-3-carboxylic acid CAS Name: 6-[(4-hydroxy-3,4-dihydro-2H-1-benzopyran-3-yl)oxymethyl]-2-[(4-methoxyphenyl)methyl]-3-quinolinecarboxylic acid IUPAC Name: 6-[(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)oxymethyl]-2-[(4-methoxyphenyl)methyl]quinoline-3-carboxylic acid Traditional Name: 6-[(4-hydroxychroman-3-yl)oxymethyl]-2-p-anisyl-quinoline-3-carboxylic acid Formula: C28H25NO6 MolecularWeight: 471.5012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2=C(C=C3C=C(C=CC3=N2)COC4COC5=CC=CC=C5C4O)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CC2=C(C=C3C=C(C=CC3=N2)COC4COC5=CC=CC=C5C4O)C(=O)O

InChI

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