[2-[[5-tert-butyl-2-(2-chlorophenyl)pyrazol-3-yl]amino]-2-oxidanylidene-ethyl] 3-acetamido-3-phenyl-propanoate

Systemtic Name: [2-[[5-tert-butyl-2-(2-chlorophenyl)pyrazol-3-yl]amino]-2-oxidanylidene-ethyl] 3-acetamido-3-phenyl-propanoate Openeye Name: [2-[[5-tert-butyl-2-(2-chlorophenyl)pyrazol-3-yl]amino]-2-oxo-ethyl] 3-acetamido-3-phenyl-propanoate CAS Name: 3-acetamido-3-phenylpropanoic acid [2-[[5-tert-butyl-2-(2-chlorophenyl)-3-pyrazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[5-tert-butyl-2-(2-chlorophenyl)pyrazol-3-yl]amino]-2-oxoethyl] 3-acetamido-3-phenylpropanoate Traditional Name: 3-acetamido-3-phenyl-propionic acid [2-[[5-tert-butyl-2-(2-chlorophenyl)pyrazol-3-yl]amino]-2-keto-ethyl] ester Formula: C26H29ClN4O4 MolecularWeight: 496.98586

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)OCC(=O)NC1=CC(=NN1C2=CC=CC=C2Cl)C(C)(C)C)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NC(CC(=O)OCC(=O)NC1=CC(=NN1C2=CC=CC=C2Cl)C(C)(C)C)C3=CC=CC=C3

InChI

InChI=1S/C26H29ClN4O4/c1-17(32)28-20(18-10-6-5-7-11-18)14-25(34)35-16-24(33)29-23-15-22(26(2,3)4)30-31(23)21-13-9-8-12-19(21)27/h5-13,15,20H,14,16H2,1-4H3,(H,28,32)(H,29,33)