ethyl 4-[(4-methoxyphenyl)methyl]-1-(1H-pyrazol-4-ylcarbonyl)piperidine-4-carboxylate

Systemtic Name: ethyl 4-[(4-methoxyphenyl)methyl]-1-(1H-pyrazol-4-ylcarbonyl)piperidine-4-carboxylate Openeye Name: ethyl 4-[(4-methoxyphenyl)methyl]-1-(1H-pyrazole-4-carbonyl)piperidine-4-carboxylate CAS Name: 4-[(4-methoxyphenyl)methyl]-1-[oxo(1H-pyrazol-4-yl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-methoxyphenyl)methyl]-1-(1H-pyrazole-4-carbonyl)piperidine-4-carboxylate Traditional Name: 4-p-anisyl-1-(1H-pyrazole-4-carbonyl)isonipecotic acid ethyl ester Formula: C20H25N3O4 MolecularWeight: 371.4302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)C2=CNN=C2)CC3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)C2=CNN=C2)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C20H25N3O4/c1-3-27-19(25)20(12-15-4-6-17(26-2)7-5-15)8-10-23(11-9-20)18(24)16-13-21-22-14-16/h4-7,13-14H,3,8-12H2,1-2H3,(H,21,22)