[4-[methyl-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)carbamoyl]-3-oxidanyl-phenyl] 2,2-dimethylpropanoate

Systemtic Name: [4-[methyl-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)carbamoyl]-3-oxidanyl-phenyl] 2,2-dimethylpropanoate Openeye Name: [3-hydroxy-4-[methyl-[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]carbamoyl]phenyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [3-hydroxy-4-[[methyl-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)amino]-oxomethyl]phenyl] ester IUPAC Name: [3-hydroxy-4-[methyl-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)carbamoyl]phenyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [3-hydroxy-4-[methyl-[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]carbamoyl]phenyl] ester Formula: C20H21N5O4 MolecularWeight: 395.41184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC1=CC(=C(C=C1)C(=O)N(C)C2=NNC(=N2)C3=CC=NC=C3)O

Isomeric SMILES

CC(C)(C)C(=O)OC1=CC(=C(C=C1)C(=O)N(C)C2=NNC(=N2)C3=CC=NC=C3)O

InChI

InChI=1S/C20H21N5O4/c1-20(2,3)18(28)29-13-5-6-14(15(26)11-13)17(27)25(4)19-22-16(23-24-19)12-7-9-21-10-8-12/h5-11,26H,1-4H3,(H,22,23,24)