[(1R)-2-(methylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-(5-methylpyrazol-1-yl)benzoate

Systemtic Name: [(1R)-2-(methylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-(5-methylpyrazol-1-yl)benzoate Openeye Name: [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenyl-ethyl] 4-(5-methylpyrazol-1-yl)benzoate CAS Name: 4-(5-methyl-1-pyrazolyl)benzoic acid [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(5-methylpyrazol-1-yl)benzoate Traditional Name: 4-(5-methylpyrazol-1-yl)benzoic acid [(1R)-2-keto-2-(methylcarbamoylamino)-1-phenyl-ethyl] ester Formula: C21H20N4O4 MolecularWeight: 392.4079

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NN1C2=CC=C(C=C2)C(=O)OC(C3=CC=CC=C3)C(=O)NC(=O)NC

Isomeric SMILES

CC1=CC=NN1C2=CC=C(C=C2)C(=O)O[C@H](C3=CC=CC=C3)C(=O)NC(=O)NC

InChI

InChI=1S/C21H20N4O4/c1-14-12-13-23-25(14)17-10-8-16(9-11-17)20(27)29-18(15-6-4-3-5-7-15)19(26)24-21(28)22-2/h3-13,18H,1-2H3,(H2,22,24,26,28)/t18-/m1/s1