dimethyl 3-[4-[[5-(2-phenylethynyl)furan-2-yl]carbonylamino]pyrazol-1-yl]pentanedioate

Systemtic Name: dimethyl 3-[4-[[5-(2-phenylethynyl)furan-2-yl]carbonylamino]pyrazol-1-yl]pentanedioate Openeye Name: dimethyl 3-[4-[[5-(2-phenylethynyl)furan-2-carbonyl]amino]pyrazol-1-yl]pentanedioate CAS Name: 3-[4-[[oxo-[5-(2-phenylethynyl)-2-furanyl]methyl]amino]-1-pyrazolyl]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 3-[4-[[5-(2-phenylethynyl)furan-2-carbonyl]amino]pyrazol-1-yl]pentanedioate Traditional Name: 3-[4-[[5-(2-phenylethynyl)-2-furoyl]amino]pyrazol-1-yl]glutaric acid dimethyl ester Formula: C23H21N3O6 MolecularWeight: 435.42934

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CC(=O)OC)N1C=C(C=N1)NC(=O)C2=CC=C(O2)C#CC3=CC=CC=C3

Isomeric SMILES

COC(=O)CC(CC(=O)OC)N1C=C(C=N1)NC(=O)C2=CC=C(O2)C#CC3=CC=CC=C3

InChI

InChI=1S/C23H21N3O6/c1-30-21(27)12-18(13-22(28)31-2)26-15-17(14-24-26)25-23(29)20-11-10-19(32-20)9-8-16-6-4-3-5-7-16/h3-7,10-11,14-15,18H,12-13H2,1-2H3,(H,25,29)