(2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl) 2-oxidanylidene-2-(1,3,5-trimethylpyrazol-4-yl)ethanoate

Systemtic Name: (2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl) 2-oxidanylidene-2-(1,3,5-trimethylpyrazol-4-yl)ethanoate Openeye Name: [2-oxo-1-phenyl-2-(1-piperidyl)ethyl] 2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetate CAS Name: 2-oxo-2-(1,3,5-trimethyl-4-pyrazolyl)acetic acid [2-oxo-1-phenyl-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetate Traditional Name: 2-keto-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid (2-keto-1-phenyl-2-piperidino-ethyl) ester Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C(=O)C(=O)OC(C2=CC=CC=C2)C(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C(=NN1C)C)C(=O)C(=O)OC(C2=CC=CC=C2)C(=O)N3CCCCC3

InChI

InChI=1S/C21H25N3O4/c1-14-17(15(2)23(3)22-14)18(25)21(27)28-19(16-10-6-4-7-11-16)20(26)24-12-8-5-9-13-24/h4,6-7,10-11,19H,5,8-9,12-13H2,1-3H3