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

Systemtic Name: ethyl 1-[1-[(3-chloranylphenoxy)methyl]pyrazol-3-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[1-[(3-chlorophenoxy)methyl]pyrazole-3-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[1-[(3-chlorophenoxy)methyl]-3-pyrazolyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-[(3-chlorophenoxy)methyl]pyrazole-3-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[1-[(3-chlorophenoxy)methyl]pyrazole-3-carbonyl]isonipecotic acid ethyl ester Formula: C19H22ClN3O4 MolecularWeight: 391.84868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClN3O4/c1-2-26-19(25)14-6-9-22(10-7-14)18(24)17-8-11-23(21-17)13-27-16-5-3-4-15(20)12-16/h3-5,8,11-12,14H,2,6-7,9-10,13H2,1H3