methyl (2S)-2-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]carbonylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl (2S)-2-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]carbonylamino]-3-oxidanyl-propanoate Openeye Name: methyl (2S)-2-[[3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carbonyl]amino]-3-hydroxy-propanoate CAS Name: (2S)-2-[[[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[3-(4-fluorophenyl)-1-phenylpyrazole-4-carbonyl]amino]-3-hydroxypropanoate Traditional Name: (2S)-2-[[3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carbonyl]amino]-3-hydroxy-propionic acid methyl ester Formula: C20H18FN3O4 MolecularWeight: 383.373023

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)C1=CN(N=C1C2=CC=C(C=C2)F)C3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H](CO)NC(=O)C1=CN(N=C1C2=CC=C(C=C2)F)C3=CC=CC=C3

InChI

InChI=1S/C20H18FN3O4/c1-28-20(27)17(12-25)22-19(26)16-11-24(15-5-3-2-4-6-15)23-18(16)13-7-9-14(21)10-8-13/h2-11,17,25H,12H2,1H3,(H,22,26)/t17-/m0/s1