butyl 4-[2-(5-phenyl-1,2,3,4-tetrazol-2-yl)ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-(5-phenyl-1,2,3,4-tetrazol-2-yl)ethanoylamino]benzoate Openeye Name: butyl 4-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-(5-phenyl-2-tetrazolyl)ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]benzoic acid butyl ester Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN2N=C(N=N2)C3=CC=CC=C3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN2N=C(N=N2)C3=CC=CC=C3

InChI

InChI=1S/C20H21N5O3/c1-2-3-13-28-20(27)16-9-11-17(12-10-16)21-18(26)14-25-23-19(22-24-25)15-7-5-4-6-8-15/h4-12H,2-3,13-14H2,1H3,(H,21,26)