3-[[3-methyl-5-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid

Systemtic Name: 3-[[3-methyl-5-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid Openeye Name: 3-[[3-methyl-5-(2-quinolylmethoxy)phenoxy]methyl]benzoic acid CAS Name: 3-[[3-methyl-5-(2-quinolinylmethoxy)phenoxy]methyl]benzoic acid IUPAC Name: 3-[[3-methyl-5-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid Traditional Name: 3-[[3-methyl-5-(2-quinolylmethoxy)phenoxy]methyl]benzoic acid Formula: C25H21NO4 MolecularWeight: 399.43854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC2=NC3=CC=CC=C3C=C2)OCC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1)OCC2=NC3=CC=CC=C3C=C2)OCC4=CC=CC(=C4)C(=O)O

InChI

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