[1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 4-(1,2,3,4-tetrazol-1-yl)benzoate

Systemtic Name: [1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 4-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: [2-(cyclohexylamino)-1-methyl-2-oxo-ethyl] 4-(tetrazol-1-yl)benzoate CAS Name: 4-(1-tetrazolyl)benzoic acid [1-(cyclohexylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclohexylamino)-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate Traditional Name: 4-(tetrazol-1-yl)benzoic acid [2-(cyclohexylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H21N5O3 MolecularWeight: 343.38034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)OC(=O)C2=CC=C(C=C2)N3C=NN=N3

Isomeric SMILES

CC(C(=O)NC1CCCCC1)OC(=O)C2=CC=C(C=C2)N3C=NN=N3

InChI

InChI=1S/C17H21N5O3/c1-12(16(23)19-14-5-3-2-4-6-14)25-17(24)13-7-9-15(10-8-13)22-11-18-20-21-22/h7-12,14H,2-6H2,1H3,(H,19,23)