ethyl 1-[1-[(4-chloranyl-3-methyl-phenoxy)methyl]pyrazol-3-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[1-[(4-chloranyl-3-methyl-phenoxy)methyl]pyrazol-3-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[1-[(4-chloro-3-methyl-phenoxy)methyl]pyrazole-3-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[1-[(4-chloro-3-methylphenoxy)methyl]-3-pyrazolyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-[(4-chloro-3-methylphenoxy)methyl]pyrazole-3-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[1-[(4-chloro-3-methyl-phenoxy)methyl]pyrazole-3-carbonyl]isonipecotic acid ethyl ester Formula: C20H24ClN3O4 MolecularWeight: 405.87526

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=NN(C=C2)COC3=CC(=C(C=C3)Cl)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=NN(C=C2)COC3=CC(=C(C=C3)Cl)C

InChI

InChI=1S/C20H24ClN3O4/c1-3-27-20(26)15-6-9-23(10-7-15)19(25)18-8-11-24(22-18)13-28-16-4-5-17(21)14(2)12-16/h4-5,8,11-12,15H,3,6-7,9-10,13H2,1-2H3