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

Systemtic Name: [2-(dicyclohexylamino)-2-oxidanylidene-ethyl] 3-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: [2-(dicyclohexylamino)-2-oxo-ethyl] 3-(tetrazol-1-yl)benzoate CAS Name: 3-(1-tetrazolyl)benzoic acid [2-(dicyclohexylamino)-2-oxoethyl] ester IUPAC Name: [2-(dicyclohexylamino)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate Traditional Name: 3-(tetrazol-1-yl)benzoic acid [2-(dicyclohexylamino)-2-keto-ethyl] ester Formula: C22H29N5O3 MolecularWeight: 411.49736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C2CCCCC2)C(=O)COC(=O)C3=CC(=CC=C3)N4C=NN=N4

Isomeric SMILES

C1CCC(CC1)N(C2CCCCC2)C(=O)COC(=O)C3=CC(=CC=C3)N4C=NN=N4

InChI

InChI=1S/C22H29N5O3/c28-21(27(18-9-3-1-4-10-18)19-11-5-2-6-12-19)15-30-22(29)17-8-7-13-20(14-17)26-16-23-24-25-26/h7-8,13-14,16,18-19H,1-6,9-12,15H2