methyl 3-[(2,5-dimethylpyrazol-3-yl)carbonylamino]-5-[(furan-3-ylcarbonylamino)methyl]benzoate

Systemtic Name: methyl 3-[(2,5-dimethylpyrazol-3-yl)carbonylamino]-5-[(furan-3-ylcarbonylamino)methyl]benzoate Openeye Name: methyl 3-[(2,5-dimethylpyrazole-3-carbonyl)amino]-5-[(furan-3-carbonylamino)methyl]benzoate CAS Name: 3-[[(2,5-dimethyl-3-pyrazolyl)-oxomethyl]amino]-5-[[[3-furanyl(oxo)methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(2,5-dimethylpyrazole-3-carbonyl)amino]-5-[(furan-3-carbonylamino)methyl]benzoate Traditional Name: 3-[(2,5-dimethylpyrazole-3-carbonyl)amino]-5-[(3-furoylamino)methyl]benzoic acid methyl ester Formula: C20H20N4O5 MolecularWeight: 396.3966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)NC2=CC(=CC(=C2)CNC(=O)C3=COC=C3)C(=O)OC)C

Isomeric SMILES

CC1=NN(C(=C1)C(=O)NC2=CC(=CC(=C2)CNC(=O)C3=COC=C3)C(=O)OC)C

InChI

InChI=1S/C20H20N4O5/c1-12-6-17(24(2)23-12)19(26)22-16-8-13(7-15(9-16)20(27)28-3)10-21-18(25)14-4-5-29-11-14/h4-9,11H,10H2,1-3H3,(H,21,25)(H,22,26)