2-[3-(benzotriazol-2-yl)-4-methyl-phenyl]ethyl 2,2-dimethylbutanoate

Systemtic Name: 2-[3-(benzotriazol-2-yl)-4-methyl-phenyl]ethyl 2,2-dimethylbutanoate Openeye Name: 2-[3-(benzotriazol-2-yl)-4-methyl-phenyl]ethyl 2,2-dimethylbutanoate CAS Name: 2,2-dimethylbutanoic acid 2-[3-(2-benzotriazolyl)-4-methylphenyl]ethyl ester IUPAC Name: 2-[3-(benzotriazol-2-yl)-4-methylphenyl]ethyl 2,2-dimethylbutanoate Traditional Name: 2,2-dimethylbutyric acid 2-[3-(benzotriazol-2-yl)-4-methyl-phenyl]ethyl ester Formula: C21H25N3O2 MolecularWeight: 351.4421

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)OCCC1=CC(=C(C=C1)C)N2N=C3C=CC=CC3=N2

Isomeric SMILES

CCC(C)(C)C(=O)OCCC1=CC(=C(C=C1)C)N2N=C3C=CC=CC3=N2

InChI

InChI=1S/C21H25N3O2/c1-5-21(3,4)20(25)26-13-12-16-11-10-15(2)19(14-16)24-22-17-8-6-7-9-18(17)23-24/h6-11,14H,5,12-13H2,1-4H3