sodium 2-[[5-[3-(quinolin-2-ylmethoxy)phenyl]-1,2,3,4-tetrazol-2-yl]methyl]benzoate

Systemtic Name: sodium 2-[[5-[3-(quinolin-2-ylmethoxy)phenyl]-1,2,3,4-tetrazol-2-yl]methyl]benzoate Openeye Name: sodium 2-[[5-[3-(2-quinolylmethoxy)phenyl]tetrazol-2-yl]methyl]benzoate CAS Name: sodium 2-[[5-[3-(2-quinolinylmethoxy)phenyl]-2-tetrazolyl]methyl]benzoate IUPAC Name: sodium 2-[[5-[3-(quinolin-2-ylmethoxy)phenyl]tetrazol-2-yl]methyl]benzoate Traditional Name: sodium 2-[[5-[3-(2-quinolylmethoxy)phenyl]tetrazol-2-yl]methyl]benzoate Formula: C25H18N5NaO3 MolecularWeight: 459.43189

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=CC(=C3)C4=NN(N=N4)CC5=CC=CC=C5C(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=CC(=C3)C4=NN(N=N4)CC5=CC=CC=C5C(=O)[O-].[Na+]

InChI

InChI=1S/C25H19N5O3.Na/c31-25(32)22-10-3-1-7-19(22)15-30-28-24(27-29-30)18-8-5-9-21(14-18)33-16-20-13-12-17-6-2-4-11-23(17)26-20;/h1-14H,15-16H2,(H,31,32);/q;+1/p-1