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

Systemtic Name: (2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl) 3-(1,3,5-trimethylpyrazol-4-yl)propanoate Openeye Name: [2-oxo-1-phenyl-2-(1-piperidyl)ethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate CAS Name: 3-(1,3,5-trimethyl-4-pyrazolyl)propanoic acid [2-oxo-1-phenyl-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 3-(1,3,5-trimethylpyrazol-4-yl)propanoate Traditional Name: 3-(1,3,5-trimethylpyrazol-4-yl)propionic acid (2-keto-1-phenyl-2-piperidino-ethyl) ester Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3/c1-16-19(17(2)24(3)23-16)12-13-20(26)28-21(18-10-6-4-7-11-18)22(27)25-14-8-5-9-15-25/h4,6-7,10-11,21H,5,8-9,12-15H2,1-3H3