[2-oxidanylidene-2-(2-phenoxyethylamino)ethyl] 1,3,5-trimethylpyrazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2-phenoxyethylamino)ethyl] 1,3,5-trimethylpyrazole-4-carboxylate Openeye Name: [2-oxo-2-(2-phenoxyethylamino)ethyl] 1,3,5-trimethylpyrazole-4-carboxylate CAS Name: 1,3,5-trimethyl-4-pyrazolecarboxylic acid [2-oxo-2-(2-phenoxyethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-phenoxyethylamino)ethyl] 1,3,5-trimethylpyrazole-4-carboxylate Traditional Name: 1,3,5-trimethylpyrazole-4-carboxylic acid [2-keto-2-(2-phenoxyethylamino)ethyl] ester Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C(=O)OCC(=O)NCCOC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=NN1C)C)C(=O)OCC(=O)NCCOC2=CC=CC=C2

InChI

InChI=1S/C17H21N3O4/c1-12-16(13(2)20(3)19-12)17(22)24-11-15(21)18-9-10-23-14-7-5-4-6-8-14/h4-8H,9-11H2,1-3H3,(H,18,21)