3-methyl-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid

Systemtic Name: 3-methyl-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid Openeye Name: 3-methyl-4-[[3-(2-quinolylmethoxy)phenoxy]methyl]benzoic acid CAS Name: 3-methyl-4-[[3-(2-quinolinylmethoxy)phenoxy]methyl]benzoic acid IUPAC Name: 3-methyl-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid Traditional Name: 3-methyl-4-[[3-(2-quinolylmethoxy)phenoxy]methyl]benzoic acid Formula: C25H21NO4 MolecularWeight: 399.43854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)COC2=CC(=CC=C2)OCC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)COC2=CC(=CC=C2)OCC3=NC4=CC=CC=C4C=C3

InChI

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