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

Systemtic Name: phenyl 4-(4-dimethylaminophenyl)-2,2-dimethyl-3-(2H-1,2,3,4-tetrazol-5-yl)butanoate Openeye Name: phenyl 4-(4-dimethylaminophenyl)-2,2-dimethyl-3-(2H-tetrazol-5-yl)butanoate CAS Name: 4-(4-dimethylaminophenyl)-2,2-dimethyl-3-(2H-tetrazol-5-yl)butanoic acid phenyl ester IUPAC Name: phenyl 4-(4-dimethylaminophenyl)-2,2-dimethyl-3-(2H-tetrazol-5-yl)butanoate Traditional Name: 4-(4-dimethylaminophenyl)-2,2-dimethyl-3-(2H-tetrazol-5-yl)butyric acid phenyl ester Formula: C21H25N5O2 MolecularWeight: 379.4555

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(CC1=CC=C(C=C1)N(C)C)C2=NNN=N2)C(=O)OC3=CC=CC=C3

Isomeric SMILES

CC(C)(C(CC1=CC=C(C=C1)N(C)C)C2=NNN=N2)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C21H25N5O2/c1-21(2,20(27)28-17-8-6-5-7-9-17)18(19-22-24-25-23-19)14-15-10-12-16(13-11-15)26(3)4/h5-13,18H,14H2,1-4H3,(H,22,23,24,25)