[2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl] 3-(1,2,3,4-tetrazol-1-yl)benzoate

Systemtic Name: [2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl] 3-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: [2-(4-cyclohexylphenyl)-2-oxo-ethyl] 3-(tetrazol-1-yl)benzoate CAS Name: 3-(1-tetrazolyl)benzoic acid [2-(4-cyclohexylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-cyclohexylphenyl)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate Traditional Name: 3-(tetrazol-1-yl)benzoic acid [2-(4-cyclohexylphenyl)-2-keto-ethyl] ester Formula: C22H22N4O3 MolecularWeight: 390.43508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C(=O)COC(=O)C3=CC(=CC=C3)N4C=NN=N4

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C(=O)COC(=O)C3=CC(=CC=C3)N4C=NN=N4

InChI

InChI=1S/C22H22N4O3/c27-21(18-11-9-17(10-12-18)16-5-2-1-3-6-16)14-29-22(28)19-7-4-8-20(13-19)26-15-23-24-25-26/h4,7-13,15-16H,1-3,5-6,14H2