3-[4-(2-cyanophenyl)phenoxy]-2-propyl-quinoline-4-carboxylic acid

Systemtic Name: 3-[4-(2-cyanophenyl)phenoxy]-2-propyl-quinoline-4-carboxylic acid Openeye Name: 3-[4-(2-cyanophenyl)phenoxy]-2-propyl-quinoline-4-carboxylic acid CAS Name: 3-[4-(2-cyanophenyl)phenoxy]-2-propyl-4-quinolinecarboxylic acid IUPAC Name: 3-[4-(2-cyanophenyl)phenoxy]-2-propylquinoline-4-carboxylic acid Traditional Name: 3-[4-(2-cyanophenyl)phenoxy]-2-propyl-cinchoninic acid Formula: C26H20N2O3 MolecularWeight: 408.4486

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2C(=C1OC3=CC=C(C=C3)C4=CC=CC=C4C#N)C(=O)O

Isomeric SMILES

CCCC1=NC2=CC=CC=C2C(=C1OC3=CC=C(C=C3)C4=CC=CC=C4C#N)C(=O)O

InChI

InChI=1S/C26H20N2O3/c1-2-7-23-25(24(26(29)30)21-10-5-6-11-22(21)28-23)31-19-14-12-17(13-15-19)20-9-4-3-8-18(20)16-27/h3-6,8-15H,2,7H2,1H3,(H,29,30)