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

Systemtic Name: sodium 3-methoxy-2-[[5-[3-(quinolin-2-ylmethoxy)phenyl]-1,2,3,4-tetrazol-2-yl]methyl]benzoate Openeye Name: sodium 3-methoxy-2-[[5-[3-(2-quinolylmethoxy)phenyl]tetrazol-2-yl]methyl]benzoate CAS Name: sodium 3-methoxy-2-[[5-[3-(2-quinolinylmethoxy)phenyl]-2-tetrazolyl]methyl]benzoate IUPAC Name: sodium 3-methoxy-2-[[5-[3-(quinolin-2-ylmethoxy)phenyl]tetrazol-2-yl]methyl]benzoate Traditional Name: sodium 3-methoxy-2-[[5-[3-(2-quinolylmethoxy)phenyl]tetrazol-2-yl]methyl]benzoate Formula: C26H20N5NaO4 MolecularWeight: 489.45787

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1CN2N=C(N=N2)C3=CC(=CC=C3)OCC4=NC5=CC=CC=C5C=C4)C(=O)[O-].[Na+]

Isomeric SMILES

COC1=CC=CC(=C1CN2N=C(N=N2)C3=CC(=CC=C3)OCC4=NC5=CC=CC=C5C=C4)C(=O)[O-].[Na+]

InChI

InChI=1S/C26H21N5O4.Na/c1-34-24-11-5-9-21(26(32)33)22(24)15-31-29-25(28-30-31)18-7-4-8-20(14-18)35-16-19-13-12-17-6-2-3-10-23(17)27-19;/h2-14H,15-16H2,1H3,(H,32,33);/q;+1/p-1