[2-(methylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate

Systemtic Name: [2-(methylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate Openeye Name: [2-(methylcarbamoylamino)-2-oxo-1-phenyl-ethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate CAS Name: 4-(3,5-dimethyl-1-pyrazolyl)benzoic acid [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate Traditional Name: 4-(3,5-dimethylpyrazol-1-yl)benzoic acid [2-keto-2-(methylcarbamoylamino)-1-phenyl-ethyl] ester Formula: C22H22N4O4 MolecularWeight: 406.43448

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O4/c1-14-13-15(2)26(25-14)18-11-9-17(10-12-18)21(28)30-19(16-7-5-4-6-8-16)20(27)24-22(29)23-3/h4-13,19H,1-3H3,(H2,23,24,27,29)