ethyl 2-oxidanyl-6-pentyl-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)oxy]benzoate

Systemtic Name: ethyl 2-oxidanyl-6-pentyl-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)oxy]benzoate Openeye Name: ethyl 2-hydroxy-6-pentyl-4-(1-phenyltetrazol-5-yl)oxy-benzoate CAS Name: 2-hydroxy-6-pentyl-4-[(1-phenyl-5-tetrazolyl)oxy]benzoic acid ethyl ester IUPAC Name: ethyl 2-hydroxy-6-pentyl-4-(1-phenyltetrazol-5-yl)oxybenzoate Traditional Name: 2-amyl-6-hydroxy-4-(1-phenyltetrazol-5-yl)oxy-benzoic acid ethyl ester Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=CC(=C1C(=O)OCC)O)OC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CCCCCC1=CC(=CC(=C1C(=O)OCC)O)OC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C21H24N4O4/c1-3-5-7-10-15-13-17(14-18(26)19(15)20(27)28-4-2)29-21-22-23-24-25(21)16-11-8-6-9-12-16/h6,8-9,11-14,26H,3-5,7,10H2,1-2H3