[(2S)-1-[tert-butyl-(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 4-pyrazol-1-ylbenzoate

Systemtic Name: [(2S)-1-[tert-butyl-(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 4-pyrazol-1-ylbenzoate Openeye Name: [(1S)-2-[benzyl(tert-butyl)amino]-1-methyl-2-oxo-ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [(2S)-1-[tert-butyl-(phenylmethyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[benzyl(tert-butyl)amino]-1-oxopropan-2-yl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [(1S)-2-[benzyl(tert-butyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C24H27N3O3 MolecularWeight: 405.48948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CC1=CC=CC=C1)C(C)(C)C)OC(=O)C2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

C[C@@H](C(=O)N(CC1=CC=CC=C1)C(C)(C)C)OC(=O)C2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C24H27N3O3/c1-18(22(28)26(24(2,3)4)17-19-9-6-5-7-10-19)30-23(29)20-11-13-21(14-12-20)27-16-8-15-25-27/h5-16,18H,17H2,1-4H3/t18-/m0/s1