ethyl 2-[[3-(2H-1,2,3,4-tetrazol-5-ylmethoxy)phenoxy]methyl]quinoline-6-carboxylate

Systemtic Name: ethyl 2-[[3-(2H-1,2,3,4-tetrazol-5-ylmethoxy)phenoxy]methyl]quinoline-6-carboxylate Openeye Name: ethyl 2-[[3-(2H-tetrazol-5-ylmethoxy)phenoxy]methyl]quinoline-6-carboxylate CAS Name: 2-[[3-(2H-tetrazol-5-ylmethoxy)phenoxy]methyl]-6-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-(2H-tetrazol-5-ylmethoxy)phenoxy]methyl]quinoline-6-carboxylate Traditional Name: 2-[[3-(2H-tetrazol-5-ylmethoxy)phenoxy]methyl]quinoline-6-carboxylic acid ethyl ester Formula: C21H19N5O4 MolecularWeight: 405.40666

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(C=C2)COC3=CC(=CC=C3)OCC4=NNN=N4

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(C=C2)COC3=CC(=CC=C3)OCC4=NNN=N4

InChI

InChI=1S/C21H19N5O4/c1-2-28-21(27)15-7-9-19-14(10-15)6-8-16(22-19)12-29-17-4-3-5-18(11-17)30-13-20-23-25-26-24-20/h3-11H,2,12-13H2,1H3,(H,23,24,25,26)