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

Systemtic Name: 3-[4-(2-cyanophenyl)phenoxy]-2-ethyl-quinoline-4-carboxylic acid Openeye Name: 3-[4-(2-cyanophenyl)phenoxy]-2-ethyl-quinoline-4-carboxylic acid CAS Name: 3-[4-(2-cyanophenyl)phenoxy]-2-ethyl-4-quinolinecarboxylic acid IUPAC Name: 3-[4-(2-cyanophenyl)phenoxy]-2-ethylquinoline-4-carboxylic acid Traditional Name: 3-[4-(2-cyanophenyl)phenoxy]-2-ethyl-cinchoninic acid Formula: C25H18N2O3 MolecularWeight: 394.42202

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1OC3=CC=C(C=C3)C4=CC=CC=C4C#N)C(=O)O

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1OC3=CC=C(C=C3)C4=CC=CC=C4C#N)C(=O)O

InChI

InChI=1S/C25H18N2O3/c1-2-21-24(23(25(28)29)20-9-5-6-10-22(20)27-21)30-18-13-11-16(12-14-18)19-8-4-3-7-17(19)15-26/h3-14H,2H2,1H3,(H,28,29)