[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanoate

Systemtic Name: [2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanoate Openeye Name: [2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl] 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetate CAS Name: 2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)acetic acid [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate Traditional Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetic acid [2-keto-2-[[(1S)-1-methylpropyl]amino]ethyl] ester Formula: C19H25N3O3 MolecularWeight: 343.4201

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC(=O)CC1=C(N(N=C1C)C2=CC=CC=C2)C

Isomeric SMILES

CC[C@H](C)NC(=O)COC(=O)CC1=C(N(N=C1C)C2=CC=CC=C2)C

InChI

InChI=1S/C19H25N3O3/c1-5-13(2)20-18(23)12-25-19(24)11-17-14(3)21-22(15(17)4)16-9-7-6-8-10-16/h6-10,13H,5,11-12H2,1-4H3,(H,20,23)/t13-/m0/s1