[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-methoxy-1-phenyl-3-pyrazolecarboxylic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate Traditional Name: 4-methoxy-1-phenyl-pyrazole-3-carboxylic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C18H23N3O4 MolecularWeight: 345.39292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)COC(=O)C1=NN(C=C1OC)C2=CC=CC=C2

Isomeric SMILES

CC(C)CCNC(=O)COC(=O)C1=NN(C=C1OC)C2=CC=CC=C2

InChI

InChI=1S/C18H23N3O4/c1-13(2)9-10-19-16(22)12-25-18(23)17-15(24-3)11-21(20-17)14-7-5-4-6-8-14/h4-8,11,13H,9-10,12H2,1-3H3,(H,19,22)