ethyl 1-[2-[4-(5-methylpyrazol-1-yl)phenyl]carbonyloxyethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[4-(5-methylpyrazol-1-yl)phenyl]carbonyloxyethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[4-(5-methylpyrazol-1-yl)benzoyl]oxyacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[4-(5-methyl-1-pyrazolyl)phenyl]-oxomethoxy]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[4-(5-methylpyrazol-1-yl)benzoyl]oxyacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[4-(5-methylpyrazol-1-yl)benzoyl]oxyacetyl]isonipecotic acid ethyl ester Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)COC(=O)C2=CC=C(C=C2)N3C(=CC=N3)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)COC(=O)C2=CC=C(C=C2)N3C(=CC=N3)C

InChI

InChI=1S/C21H25N3O5/c1-3-28-20(26)17-9-12-23(13-10-17)19(25)14-29-21(27)16-4-6-18(7-5-16)24-15(2)8-11-22-24/h4-8,11,17H,3,9-10,12-14H2,1-2H3