tert-butyl N-[(1S)-1-[1-(2-cyanoethyl)-1,2,3,4-tetrazol-5-yl]-4-(2-methoxyphenyl)but-3-ynyl]carbamate

Systemtic Name: tert-butyl N-[(1S)-1-[1-(2-cyanoethyl)-1,2,3,4-tetrazol-5-yl]-4-(2-methoxyphenyl)but-3-ynyl]carbamate Openeye Name: tert-butyl N-[(1S)-1-[1-(2-cyanoethyl)tetrazol-5-yl]-4-(2-methoxyphenyl)but-3-ynyl]carbamate CAS Name: N-[(1S)-1-[1-(2-cyanoethyl)-5-tetrazolyl]-4-(2-methoxyphenyl)but-3-ynyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(1S)-1-[1-(2-cyanoethyl)tetrazol-5-yl]-4-(2-methoxyphenyl)but-3-ynyl]carbamate Traditional Name: N-[(1S)-1-[1-(2-cyanoethyl)tetrazol-5-yl]-4-(2-methoxyphenyl)but-3-ynyl]carbamic acid tert-butyl ester Formula: C20H24N6O3 MolecularWeight: 396.44296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC#CC1=CC=CC=C1OC)C2=NN=NN2CCC#N

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC#CC1=CC=CC=C1OC)C2=NN=NN2CCC#N

InChI

InChI=1S/C20H24N6O3/c1-20(2,3)29-19(27)22-16(18-23-24-25-26(18)14-8-13-21)11-7-10-15-9-5-6-12-17(15)28-4/h5-6,9,12,16H,8,11,14H2,1-4H3,(H,22,27)/t16-/m0/s1