[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate

Systemtic Name: [2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate Openeye Name: [2-(4-methyl-1-piperidyl)-2-oxo-ethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate CAS Name: 4-(3,5-dimethyl-1-pyrazolyl)benzoic acid [2-(4-methyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate Traditional Name: 4-(3,5-dimethylpyrazol-1-yl)benzoic acid [2-keto-2-(4-methylpiperidino)ethyl] ester Formula: C20H25N3O3 MolecularWeight: 355.4308

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)COC(=O)C2=CC=C(C=C2)N3C(=CC(=N3)C)C

Isomeric SMILES

CC1CCN(CC1)C(=O)COC(=O)C2=CC=C(C=C2)N3C(=CC(=N3)C)C

InChI

InChI=1S/C20H25N3O3/c1-14-8-10-22(11-9-14)19(24)13-26-20(25)17-4-6-18(7-5-17)23-16(3)12-15(2)21-23/h4-7,12,14H,8-11,13H2,1-3H3