ethyl 1-[[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]carbonyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]carbonyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-(4-ethoxyphenyl)-1H-pyrazole-5-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(4-ethoxyphenyl)-1H-pyrazole-5-carbonyl]piperidine-4-carboxylate Traditional Name: 1-(3-p-phenetyl-1H-pyrazole-5-carbonyl)isonipecotic acid ethyl ester Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N3CCC(CC3)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N3CCC(CC3)C(=O)OCC

InChI

InChI=1S/C20H25N3O4/c1-3-26-16-7-5-14(6-8-16)17-13-18(22-21-17)19(24)23-11-9-15(10-12-23)20(25)27-4-2/h5-8,13,15H,3-4,9-12H2,1-2H3,(H,21,22)