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

Systemtic Name: [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] 1-oxidanylcyclohexane-1-carboxylate Openeye Name: [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl] 1-hydroxycyclohexanecarboxylate CAS Name: 1-hydroxy-1-cyclohexanecarboxylic 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] 1-hydroxycyclohexane-1-carboxylate Traditional Name: 1-hydroxycyclohexanecarboxylic acid [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-keto-ethyl] ester Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC(=O)C3(CCCCC3)O

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC(=O)C3(CCCCC3)O

InChI

InChI=1S/C20H25N3O4/c1-14-18(15(2)23(22-14)16-9-5-3-6-10-16)21-17(24)13-27-19(25)20(26)11-7-4-8-12-20/h3,5-6,9-10,26H,4,7-8,11-13H2,1-2H3,(H,21,24)