ethyl 4-[[1-(4-ethoxyphenyl)-1,2,3,4-tetrazol-5-yl]methylamino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[1-(4-ethoxyphenyl)-1,2,3,4-tetrazol-5-yl]methylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methylamino]-4-oxo-butanoate CAS Name: 4-[[1-(4-ethoxyphenyl)-5-tetrazolyl]methylamino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[(1-p-phenetyltetrazol-5-yl)methylamino]butyric acid ethyl ester Formula: C16H21N5O4 MolecularWeight: 347.36904

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=N2)CNC(=O)CCC(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=N2)CNC(=O)CCC(=O)OCC

InChI

InChI=1S/C16H21N5O4/c1-3-24-13-7-5-12(6-8-13)21-14(18-19-20-21)11-17-15(22)9-10-16(23)25-4-2/h5-8H,3-4,9-11H2,1-2H3,(H,17,22)