(phenylmethyl) 2-[1-(3-pyridin-3-ylpropyl)-1,2,3,4-tetrazol-5-yl]azetidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[1-(3-pyridin-3-ylpropyl)-1,2,3,4-tetrazol-5-yl]azetidine-1-carboxylate Openeye Name: benzyl 2-[1-[3-(3-pyridyl)propyl]tetrazol-5-yl]azetidine-1-carboxylate CAS Name: 2-[1-[3-(3-pyridinyl)propyl]-5-tetrazolyl]-1-azetidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[1-(3-pyridin-3-ylpropyl)tetrazol-5-yl]azetidine-1-carboxylate Traditional Name: 2-[1-[3-(3-pyridyl)propyl]tetrazol-5-yl]azetidine-1-carboxylic acid benzyl ester Formula: C20H22N6O2 MolecularWeight: 378.42768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C1C2=NN=NN2CCCC3=CN=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(C1C2=NN=NN2CCCC3=CN=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C20H22N6O2/c27-20(28-15-17-6-2-1-3-7-17)25-13-10-18(25)19-22-23-24-26(19)12-5-9-16-8-4-11-21-14-16/h1-4,6-8,11,14,18H,5,9-10,12-13,15H2