2-[2-methyl-6-[[3-(2-quinolin-2-ylethyl)phenoxy]methyl]phenoxy]ethanoic acid

Systemtic Name: 2-[2-methyl-6-[[3-(2-quinolin-2-ylethyl)phenoxy]methyl]phenoxy]ethanoic acid Openeye Name: 2-[2-methyl-6-[[3-[2-(2-quinolyl)ethyl]phenoxy]methyl]phenoxy]acetic acid CAS Name: 2-[2-methyl-6-[[3-[2-(2-quinolinyl)ethyl]phenoxy]methyl]phenoxy]acetic acid IUPAC Name: 2-[2-methyl-6-[[3-(2-quinolin-2-ylethyl)phenoxy]methyl]phenoxy]acetic acid Traditional Name: 2-[2-methyl-6-[[3-[2-(2-quinolyl)ethyl]phenoxy]methyl]phenoxy]acetic acid Formula: C27H25NO4 MolecularWeight: 427.4917

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)COC2=CC=CC(=C2)CCC3=NC4=CC=CC=C4C=C3)OCC(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)COC2=CC=CC(=C2)CCC3=NC4=CC=CC=C4C=C3)OCC(=O)O

InChI

InChI=1S/C27H25NO4/c1-19-6-4-9-22(27(19)32-18-26(29)30)17-31-24-10-5-7-20(16-24)12-14-23-15-13-21-8-2-3-11-25(21)28-23/h2-11,13,15-16H,12,14,17-18H2,1H3,(H,29,30)