(2-morpholin-4-yl-2-oxidanylidene-ethyl) 4-(3,5-dimethylpyrazol-1-yl)benzoate

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-ethyl) 4-(3,5-dimethylpyrazol-1-yl)benzoate Openeye Name: (2-morpholino-2-oxo-ethyl) 4-(3,5-dimethylpyrazol-1-yl)benzoate CAS Name: 4-(3,5-dimethyl-1-pyrazolyl)benzoic acid [2-(4-morpholinyl)-2-oxoethyl] ester IUPAC Name: (2-morpholin-4-yl-2-oxoethyl) 4-(3,5-dimethylpyrazol-1-yl)benzoate Traditional Name: 4-(3,5-dimethylpyrazol-1-yl)benzoic acid (2-keto-2-morpholino-ethyl) ester Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OCC(=O)N3CCOCC3)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OCC(=O)N3CCOCC3)C

InChI

InChI=1S/C18H21N3O4/c1-13-11-14(2)21(19-13)16-5-3-15(4-6-16)18(23)25-12-17(22)20-7-9-24-10-8-20/h3-6,11H,7-10,12H2,1-2H3