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

Systemtic Name: [(2S)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 4-(pyrazol-1-ylmethyl)benzoate Openeye Name: [(1S)-2-(tert-butylamino)-1-methyl-2-oxo-ethyl] 4-(pyrazol-1-ylmethyl)benzoate CAS Name: 4-(1-pyrazolylmethyl)benzoic acid [(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 4-(pyrazol-1-ylmethyl)benzoate Traditional Name: 4-(pyrazol-1-ylmethyl)benzoic acid [(1S)-2-(tert-butylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H23N3O3 MolecularWeight: 329.39352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)OC(=O)C1=CC=C(C=C1)CN2C=CC=N2

Isomeric SMILES

C[C@@H](C(=O)NC(C)(C)C)OC(=O)C1=CC=C(C=C1)CN2C=CC=N2

InChI

InChI=1S/C18H23N3O3/c1-13(16(22)20-18(2,3)4)24-17(23)15-8-6-14(7-9-15)12-21-11-5-10-19-21/h5-11,13H,12H2,1-4H3,(H,20,22)/t13-/m0/s1