1-[(R)-[(2R)-2-tert-butyloxiran-2-yl]-(3,4-dimethylphenyl)methyl]benzotriazole

Systemtic Name: 1-[(R)-[(2R)-2-tert-butyloxiran-2-yl]-(3,4-dimethylphenyl)methyl]benzotriazole Openeye Name: 1-[(R)-[(2R)-2-tert-butyloxiran-2-yl]-(3,4-dimethylphenyl)methyl]benzotriazole CAS Name: 1-[(R)-[(2R)-2-tert-butyl-2-oxiranyl]-(3,4-dimethylphenyl)methyl]benzotriazole IUPAC Name: 1-[(R)-[(2R)-2-tert-butyloxiran-2-yl]-(3,4-dimethylphenyl)methyl]benzotriazole Traditional Name: 1-[(R)-[(2R)-2-tert-butyloxiran-2-yl]-(3,4-dimethylphenyl)methyl]benzotriazole Formula: C21H25N3O MolecularWeight: 335.4427

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C2(CO2)C(C)(C)C)N3C4=CC=CC=C4N=N3)C

Isomeric SMILES

CC1=C(C=C(C=C1)[C@H]([C@@]2(CO2)C(C)(C)C)N3C4=CC=CC=C4N=N3)C

InChI

InChI=1S/C21H25N3O/c1-14-10-11-16(12-15(14)2)19(21(13-25-21)20(3,4)5)24-18-9-7-6-8-17(18)22-23-24/h6-12,19H,13H2,1-5H3/t19-,21+/m1/s1