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

Systemtic Name: 2-propyl-3-[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenoxy]quinoline-4-carboxylic acid Openeye Name: 2-propyl-3-[4-[2-(2H-tetrazol-5-yl)phenyl]phenoxy]quinoline-4-carboxylic acid CAS Name: 2-propyl-3-[4-[2-(2H-tetrazol-5-yl)phenyl]phenoxy]-4-quinolinecarboxylic acid IUPAC Name: 2-propyl-3-[4-[2-(2H-tetrazol-5-yl)phenyl]phenoxy]quinoline-4-carboxylic acid Traditional Name: 2-propyl-3-[4-[2-(2H-tetrazol-5-yl)phenyl]phenoxy]cinchoninic acid Formula: C26H21N5O3 MolecularWeight: 451.47664

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2C(=C1OC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)O

Isomeric SMILES

CCCC1=NC2=CC=CC=C2C(=C1OC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)O

InChI

InChI=1S/C26H21N5O3/c1-2-7-22-24(23(26(32)33)20-10-5-6-11-21(20)27-22)34-17-14-12-16(13-15-17)18-8-3-4-9-19(18)25-28-30-31-29-25/h3-6,8-15H,2,7H2,1H3,(H,32,33)(H,28,29,30,31)