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

Systemtic Name: [2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate Openeye Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate CAS Name: 4-(3,5-dimethyl-1-pyrazolyl)benzoic acid [2-oxo-2-[[oxo(propylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate Traditional Name: 4-(3,5-dimethylpyrazol-1-yl)benzoic acid [2-keto-2-(propylcarbamoylamino)ethyl] ester Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(=O)COC(=O)C1=CC=C(C=C1)N2C(=CC(=N2)C)C

Isomeric SMILES

CCCNC(=O)NC(=O)COC(=O)C1=CC=C(C=C1)N2C(=CC(=N2)C)C

InChI

InChI=1S/C18H22N4O4/c1-4-9-19-18(25)20-16(23)11-26-17(24)14-5-7-15(8-6-14)22-13(3)10-12(2)21-22/h5-8,10H,4,9,11H2,1-3H3,(H2,19,20,23,25)