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

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 4-pyrazol-1-ylbenzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [(2S)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propylamino)propan-2-yl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [(1S)-2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C16H19N3O3 MolecularWeight: 301.34036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O3/c1-3-9-17-15(20)12(2)22-16(21)13-5-7-14(8-6-13)19-11-4-10-18-19/h4-8,10-12H,3,9H2,1-2H3,(H,17,20)/t12-/m0/s1