[2-oxidanylidene-2-[[(2S)-pentan-2-yl]amino]ethyl] 1-phenylpyrazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-pentan-2-yl]amino]ethyl] 1-phenylpyrazole-4-carboxylate Openeye Name: [2-[[(1S)-1-methylbutyl]amino]-2-oxo-ethyl] 1-phenylpyrazole-4-carboxylate CAS Name: 1-phenyl-4-pyrazolecarboxylic acid [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 1-phenylpyrazole-4-carboxylate Traditional Name: 1-phenylpyrazole-4-carboxylic acid [2-keto-2-[[(1S)-1-methylbutyl]amino]ethyl] ester Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)COC(=O)C1=CN(N=C1)C2=CC=CC=C2

Isomeric SMILES

CCC[C@H](C)NC(=O)COC(=O)C1=CN(N=C1)C2=CC=CC=C2

InChI

InChI=1S/C17H21N3O3/c1-3-7-13(2)19-16(21)12-23-17(22)14-10-18-20(11-14)15-8-5-4-6-9-15/h4-6,8-11,13H,3,7,12H2,1-2H3,(H,19,21)/t13-/m0/s1