(1-butyl-1,2,3,4-tetrazol-5-yl)methyl 3-ethoxy-4-(2-morpholin-4-yl-2-oxidanylidene-ethoxy)benzoate

Systemtic Name: (1-butyl-1,2,3,4-tetrazol-5-yl)methyl 3-ethoxy-4-(2-morpholin-4-yl-2-oxidanylidene-ethoxy)benzoate Openeye Name: (1-butyltetrazol-5-yl)methyl 3-ethoxy-4-(2-morpholino-2-oxo-ethoxy)benzoate CAS Name: 3-ethoxy-4-[2-(4-morpholinyl)-2-oxoethoxy]benzoic acid (1-butyl-5-tetrazolyl)methyl ester IUPAC Name: (1-butyltetrazol-5-yl)methyl 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate Traditional Name: 3-ethoxy-4-(2-keto-2-morpholino-ethoxy)benzoic acid (1-butyltetrazol-5-yl)methyl ester Formula: C21H29N5O6 MolecularWeight: 447.48486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)COC(=O)C2=CC(=C(C=C2)OCC(=O)N3CCOCC3)OCC

Isomeric SMILES

CCCCN1C(=NN=N1)COC(=O)C2=CC(=C(C=C2)OCC(=O)N3CCOCC3)OCC

InChI

InChI=1S/C21H29N5O6/c1-3-5-8-26-19(22-23-24-26)14-32-21(28)16-6-7-17(18(13-16)30-4-2)31-15-20(27)25-9-11-29-12-10-25/h6-7,13H,3-5,8-12,14-15H2,1-2H3