phenyl 2,2-dimethyl-3-[2-(pyridin-4-ylmethyl)-1,2,3,4-tetrazol-5-yl]propanoate

Systemtic Name: phenyl 2,2-dimethyl-3-[2-(pyridin-4-ylmethyl)-1,2,3,4-tetrazol-5-yl]propanoate Openeye Name: phenyl 2,2-dimethyl-3-[2-(4-pyridylmethyl)tetrazol-5-yl]propanoate CAS Name: 2,2-dimethyl-3-[2-(pyridin-4-ylmethyl)-5-tetrazolyl]propanoic acid phenyl ester IUPAC Name: phenyl 2,2-dimethyl-3-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]propanoate Traditional Name: 2,2-dimethyl-3-[2-(4-pyridylmethyl)tetrazol-5-yl]propionic acid phenyl ester Formula: C18H19N5O2 MolecularWeight: 337.37576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=NN(N=N1)CC2=CC=NC=C2)C(=O)OC3=CC=CC=C3

Isomeric SMILES

CC(C)(CC1=NN(N=N1)CC2=CC=NC=C2)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C18H19N5O2/c1-18(2,17(24)25-15-6-4-3-5-7-15)12-16-20-22-23(21-16)13-14-8-10-19-11-9-14/h3-11H,12-13H2,1-2H3