phenyl 2,2-dimethyl-4-(4-propan-2-ylphenyl)-3-(2H-1,2,3,4-tetrazol-5-yl)butanoate

Systemtic Name: phenyl 2,2-dimethyl-4-(4-propan-2-ylphenyl)-3-(2H-1,2,3,4-tetrazol-5-yl)butanoate Openeye Name: phenyl 4-(4-isopropylphenyl)-2,2-dimethyl-3-(2H-tetrazol-5-yl)butanoate CAS Name: 2,2-dimethyl-4-(4-propan-2-ylphenyl)-3-(2H-tetrazol-5-yl)butanoic acid phenyl ester IUPAC Name: phenyl 2,2-dimethyl-4-(4-propan-2-ylphenyl)-3-(2H-tetrazol-5-yl)butanoate Traditional Name: 2,2-dimethyl-4-p-cumenyl-3-(2H-tetrazol-5-yl)butyric acid phenyl ester Formula: C22H26N4O2 MolecularWeight: 378.46744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CC(C2=NNN=N2)C(C)(C)C(=O)OC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CC(C2=NNN=N2)C(C)(C)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C22H26N4O2/c1-15(2)17-12-10-16(11-13-17)14-19(20-23-25-26-24-20)22(3,4)21(27)28-18-8-6-5-7-9-18/h5-13,15,19H,14H2,1-4H3,(H,23,24,25,26)