(phenylmethyl) 4-[1-(2-cyanoethyl)-1,2,3,4-tetrazol-5-yl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

Systemtic Name: (phenylmethyl) 4-[1-(2-cyanoethyl)-1,2,3,4-tetrazol-5-yl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Openeye Name: benzyl 4-(tert-butoxycarbonylamino)-4-[1-(2-cyanoethyl)tetrazol-5-yl]butanoate CAS Name: 4-[1-(2-cyanoethyl)-5-tetrazolyl]-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[1-(2-cyanoethyl)tetrazol-5-yl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Traditional Name: 4-(tert-butoxycarbonylamino)-4-[1-(2-cyanoethyl)tetrazol-5-yl]butyric acid benzyl ester Formula: C20H26N6O4 MolecularWeight: 414.45824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCC(=O)OCC1=CC=CC=C1)C2=NN=NN2CCC#N

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCC(=O)OCC1=CC=CC=C1)C2=NN=NN2CCC#N

InChI

InChI=1S/C20H26N6O4/c1-20(2,3)30-19(28)22-16(18-23-24-25-26(18)13-7-12-21)10-11-17(27)29-14-15-8-5-4-6-9-15/h4-6,8-9,16H,7,10-11,13-14H2,1-3H3,(H,22,28)