2-ethyl-3-[4-phenyl-3-(2H-1,2,3,4-tetrazol-5-yl)phenoxy]quinoline-4-carboxylic acid

Systemtic Name: 2-ethyl-3-[4-phenyl-3-(2H-1,2,3,4-tetrazol-5-yl)phenoxy]quinoline-4-carboxylic acid Openeye Name: 2-ethyl-3-[4-phenyl-3-(2H-tetrazol-5-yl)phenoxy]quinoline-4-carboxylic acid CAS Name: 2-ethyl-3-[4-phenyl-3-(2H-tetrazol-5-yl)phenoxy]-4-quinolinecarboxylic acid IUPAC Name: 2-ethyl-3-[4-phenyl-3-(2H-tetrazol-5-yl)phenoxy]quinoline-4-carboxylic acid Traditional Name: 2-ethyl-3-[4-phenyl-3-(2H-tetrazol-5-yl)phenoxy]cinchoninic acid Formula: C25H19N5O3 MolecularWeight: 437.45006

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1OC3=CC(=C(C=C3)C4=CC=CC=C4)C5=NNN=N5)C(=O)O

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1OC3=CC(=C(C=C3)C4=CC=CC=C4)C5=NNN=N5)C(=O)O

InChI

InChI=1S/C25H19N5O3/c1-2-20-23(22(25(31)32)18-10-6-7-11-21(18)26-20)33-16-12-13-17(15-8-4-3-5-9-15)19(14-16)24-27-29-30-28-24/h3-14H,2H2,1H3,(H,31,32)(H,27,28,29,30)