4-[1-[2-cyano-4-[(1,5-dimethylpyrazol-4-yl)carbonylamino]phenyl]piperidin-4-yl]oxy-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[1-[2-cyano-4-[(1,5-dimethylpyrazol-4-yl)carbonylamino]phenyl]piperidin-4-yl]oxy-4-oxidanylidene-butanoic acid Openeye Name: 4-[[1-[2-cyano-4-[(1,5-dimethylpyrazole-4-carbonyl)amino]phenyl]-4-piperidyl]oxy]-4-oxo-butanoic acid CAS Name: 4-[[1-[2-cyano-4-[[(1,5-dimethyl-4-pyrazolyl)-oxomethyl]amino]phenyl]-4-piperidinyl]oxy]-4-oxobutanoic acid IUPAC Name: 4-[1-[2-cyano-4-[(1,5-dimethylpyrazole-4-carbonyl)amino]phenyl]piperidin-4-yl]oxy-4-oxobutanoic acid Traditional Name: 4-[[1-[2-cyano-4-[(1,5-dimethylpyrazole-4-carbonyl)amino]phenyl]-4-piperidyl]oxy]-4-keto-butyric acid Formula: C22H25N5O5 MolecularWeight: 439.4644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)C(=O)NC2=CC(=C(C=C2)N3CCC(CC3)OC(=O)CCC(=O)O)C#N

Isomeric SMILES

CC1=C(C=NN1C)C(=O)NC2=CC(=C(C=C2)N3CCC(CC3)OC(=O)CCC(=O)O)C#N

InChI

InChI=1S/C22H25N5O5/c1-14-18(13-24-26(14)2)22(31)25-16-3-4-19(15(11-16)12-23)27-9-7-17(8-10-27)32-21(30)6-5-20(28)29/h3-4,11,13,17H,5-10H2,1-2H3,(H,25,31)(H,28,29)