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

Systemtic Name: 2-ethyl-3-[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenoxy]quinoline-4-carboxylic acid; lithium Openeye Name: 2-ethyl-3-[4-[2-(2H-tetrazol-5-yl)phenyl]phenoxy]quinoline-4-carboxylic acid; lithium CAS Name: 2-ethyl-3-[4-[2-(2H-tetrazol-5-yl)phenyl]phenoxy]-4-quinolinecarboxylic acid; lithium IUPAC Name: 2-ethyl-3-[4-[2-(2H-tetrazol-5-yl)phenyl]phenoxy]quinoline-4-carboxylic acid; lithium Traditional Name: 2-ethyl-3-[4-[2-(2H-tetrazol-5-yl)phenyl]phenoxy]cinchoninic acid; lithium Formula: C25H19LiN5O3 MolecularWeight: 444.39106

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Descriptors Computed from Structure

Canonical SMILES:

[Li].CCC1=NC2=CC=CC=C2C(=C1OC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)O

Isomeric SMILES

[Li].CCC1=NC2=CC=CC=C2C(=C1OC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)O

InChI

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