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

Systemtic Name: 3-[[3-methyl-4-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid Openeye Name: 3-[[3-methyl-4-(2-quinolylmethoxy)phenoxy]methyl]benzoic acid CAS Name: 3-[[3-methyl-4-(2-quinolinylmethoxy)phenoxy]methyl]benzoic acid IUPAC Name: 3-[[3-methyl-4-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid Traditional Name: 3-[[3-methyl-4-(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)OCC2=CC=CC(=C2)C(=O)O)OCC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=CC=CC(=C2)C(=O)O)OCC3=NC4=CC=CC=C4C=C3

InChI

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