2-[4-[[3-butyl-2-(hydroxymethyl)quinolin-4-yl]oxymethyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[3-butyl-2-(hydroxymethyl)quinolin-4-yl]oxymethyl]phenyl]benzoic acid Openeye Name: 2-[4-[[3-butyl-2-(hydroxymethyl)-4-quinolyl]oxymethyl]phenyl]benzoic acid CAS Name: 2-[4-[[3-butyl-2-(hydroxymethyl)-4-quinolinyl]oxymethyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[3-butyl-2-(hydroxymethyl)quinolin-4-yl]oxymethyl]phenyl]benzoic acid Traditional Name: 2-[4-[(3-butyl-2-methylol-4-quinolyl)oxymethyl]phenyl]benzoic acid Formula: C28H27NO4 MolecularWeight: 441.51828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2N=C1CO)OCC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2N=C1CO)OCC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C28H27NO4/c1-2-3-8-24-26(17-30)29-25-12-7-6-11-23(25)27(24)33-18-19-13-15-20(16-14-19)21-9-4-5-10-22(21)28(31)32/h4-7,9-16,30H,2-3,8,17-18H2,1H3,(H,31,32)