[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] 2-(furan-2-ylcarbonylamino)propanoate

Systemtic Name: [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] 2-(furan-2-ylcarbonylamino)propanoate Openeye Name: [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl] 2-(furan-2-carbonylamino)propanoate CAS Name: 2-[[2-furanyl(oxo)methyl]amino]propanoic acid [2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)propanoate Traditional Name: 2-(2-furoylamino)propionic acid [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-keto-ethyl] ester Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC(=O)C(C)NC(=O)C3=CC=CO3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC(=O)C(C)NC(=O)C3=CC=CO3

InChI

InChI=1S/C21H22N4O5/c1-13-19(15(3)25(24-13)16-8-5-4-6-9-16)23-18(26)12-30-21(28)14(2)22-20(27)17-10-7-11-29-17/h4-11,14H,12H2,1-3H3,(H,22,27)(H,23,26)