2-methyl-6-[[3-(quinolin-2-yloxymethyl)phenoxy]methyl]benzoic acid

Systemtic Name: 2-methyl-6-[[3-(quinolin-2-yloxymethyl)phenoxy]methyl]benzoic acid Openeye Name: 2-methyl-6-[[3-(2-quinolyloxymethyl)phenoxy]methyl]benzoic acid CAS Name: 2-methyl-6-[[3-(2-quinolinyloxymethyl)phenoxy]methyl]benzoic acid IUPAC Name: 2-methyl-6-[[3-(quinolin-2-yloxymethyl)phenoxy]methyl]benzoic acid Traditional Name: 2-methyl-6-[[3-(2-quinolyloxymethyl)phenoxy]methyl]benzoic acid Formula: C25H21NO4 MolecularWeight: 399.43854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)COC2=CC=CC(=C2)COC3=NC4=CC=CC=C4C=C3)C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)COC2=CC=CC(=C2)COC3=NC4=CC=CC=C4C=C3)C(=O)O

InChI

InChI=1S/C25H21NO4/c1-17-6-4-9-20(24(17)25(27)28)16-29-21-10-5-7-18(14-21)15-30-23-13-12-19-8-2-3-11-22(19)26-23/h2-14H,15-16H2,1H3,(H,27,28)