(4-pyrazol-1-ylphenyl)methyl 1-(furan-2-ylcarbonyl)piperidine-4-carboxylate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 1-(furan-2-ylcarbonyl)piperidine-4-carboxylate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 1-(furan-2-carbonyl)piperidine-4-carboxylate CAS Name: 1-[2-furanyl(oxo)methyl]-4-piperidinecarboxylic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 1-(furan-2-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(2-furoyl)isonipecotic acid (4-pyrazol-1-ylbenzyl) ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=CC=C(C=C2)N3C=CC=N3)C(=O)C4=CC=CO4

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=CC=C(C=C2)N3C=CC=N3)C(=O)C4=CC=CO4

InChI

InChI=1S/C21H21N3O4/c25-20(19-3-1-14-27-19)23-12-8-17(9-13-23)21(26)28-15-16-4-6-18(7-5-16)24-11-2-10-22-24/h1-7,10-11,14,17H,8-9,12-13,15H2