ethyl (2S)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-[(4-fluorophenyl)carbonylamino]ethanoate

Systemtic Name: ethyl (2S)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-[(4-fluorophenyl)carbonylamino]ethanoate Openeye Name: ethyl (2S)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-[(4-fluorobenzoyl)amino]acetate CAS Name: (2S)-2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-[[(4-fluorophenyl)-oxomethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl (2S)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(4-fluorobenzoyl)amino]acetate Traditional Name: (2S)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-[(4-fluorobenzoyl)amino]acetic acid ethyl ester Formula: C22H22FN3O3 MolecularWeight: 395.426783

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=C(N(N=C1C)C2=CC=CC=C2)C)NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)[C@H](C1=C(N(N=C1C)C2=CC=CC=C2)C)NC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H22FN3O3/c1-4-29-22(28)20(24-21(27)16-10-12-17(23)13-11-16)19-14(2)25-26(15(19)3)18-8-6-5-7-9-18/h5-13,20H,4H2,1-3H3,(H,24,27)/t20-/m0/s1