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

Systemtic Name: 2-[3-(benzotriazol-2-yl)-4-methanoyl-phenyl]ethyl 2,2-dimethylbutanoate Openeye Name: 2-[3-(benzotriazol-2-yl)-4-formyl-phenyl]ethyl 2,2-dimethylbutanoate CAS Name: 2,2-dimethylbutanoic acid 2-[3-(2-benzotriazolyl)-4-formylphenyl]ethyl ester IUPAC Name: 2-[3-(benzotriazol-2-yl)-4-formylphenyl]ethyl 2,2-dimethylbutanoate Traditional Name: 2,2-dimethylbutyric acid 2-[3-(benzotriazol-2-yl)-4-formyl-phenyl]ethyl ester Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3/c1-4-21(2,3)20(26)27-12-11-15-9-10-16(14-25)19(13-15)24-22-17-7-5-6-8-18(17)23-24/h5-10,13-14H,4,11-12H2,1-3H3