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

Systemtic Name: [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] 3-(furan-2-yl)propanoate Openeye Name: [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl] 3-(2-furyl)propanoate CAS Name: 3-(2-furanyl)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] 3-(furan-2-yl)propanoate Traditional Name: 3-(2-furyl)propionic acid [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-keto-ethyl] ester Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC(=O)CCC3=CC=CO3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC(=O)CCC3=CC=CO3

InChI

InChI=1S/C20H21N3O4/c1-14-20(15(2)23(22-14)16-7-4-3-5-8-16)21-18(24)13-27-19(25)11-10-17-9-6-12-26-17/h3-9,12H,10-11,13H2,1-2H3,(H,21,24)