[2-[(1-methoxy-3-methyl-1-oxidanylidene-pentan-2-yl)amino]-2-oxidanylidene-ethyl] 5-methyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-[(1-methoxy-3-methyl-1-oxidanylidene-pentan-2-yl)amino]-2-oxidanylidene-ethyl] 5-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-[(1-methoxycarbonyl-2-methyl-butyl)amino]-2-oxo-ethyl] 5-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-methyl-1-phenyl-4-pyrazolecarboxylic acid [2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 5-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-methyl-1-phenyl-pyrazole-4-carboxylic acid [2-[(1-carbomethoxy-2-methyl-butyl)amino]-2-keto-ethyl] ester Formula: C20H25N3O5 MolecularWeight: 387.4296

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)COC(=O)C1=C(N(N=C1)C2=CC=CC=C2)C

Isomeric SMILES

CCC(C)C(C(=O)OC)NC(=O)COC(=O)C1=C(N(N=C1)C2=CC=CC=C2)C

InChI

InChI=1S/C20H25N3O5/c1-5-13(2)18(20(26)27-4)22-17(24)12-28-19(25)16-11-21-23(14(16)3)15-9-7-6-8-10-15/h6-11,13,18H,5,12H2,1-4H3,(H,22,24)