[(2S)-1-(2-methoxyethylamino)-1-oxidanylidene-propan-2-yl] 4-pyrazol-1-ylbenzoate

Systemtic Name: [(2S)-1-(2-methoxyethylamino)-1-oxidanylidene-propan-2-yl] 4-pyrazol-1-ylbenzoate Openeye Name: [(1S)-2-(2-methoxyethylamino)-1-methyl-2-oxo-ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [(1S)-2-keto-2-(2-methoxyethylamino)-1-methyl-ethyl] ester Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCOC)OC(=O)C1=CC=C(C=C1)N2C=CC=N2

Isomeric SMILES

C[C@@H](C(=O)NCCOC)OC(=O)C1=CC=C(C=C1)N2C=CC=N2

InChI

InChI=1S/C16H19N3O4/c1-12(15(20)17-9-11-22-2)23-16(21)13-4-6-14(7-5-13)19-10-3-8-18-19/h3-8,10,12H,9,11H2,1-2H3,(H,17,20)/t12-/m0/s1