[(2S)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 4-(benzotriazol-1-ylmethyl)benzoate

Systemtic Name: [(2S)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 4-(benzotriazol-1-ylmethyl)benzoate Openeye Name: [(1S)-2-(tert-butylamino)-1-methyl-2-oxo-ethyl] 4-(benzotriazol-1-ylmethyl)benzoate CAS Name: 4-(1-benzotriazolylmethyl)benzoic acid [(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 4-(benzotriazol-1-ylmethyl)benzoate Traditional Name: 4-(benzotriazol-1-ylmethyl)benzoic acid [(1S)-2-(tert-butylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H24N4O3 MolecularWeight: 380.44026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)OC(=O)C1=CC=C(C=C1)CN2C3=CC=CC=C3N=N2

Isomeric SMILES

C[C@@H](C(=O)NC(C)(C)C)OC(=O)C1=CC=C(C=C1)CN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C21H24N4O3/c1-14(19(26)22-21(2,3)4)28-20(27)16-11-9-15(10-12-16)13-25-18-8-6-5-7-17(18)23-24-25/h5-12,14H,13H2,1-4H3,(H,22,26)/t14-/m0/s1