tert-butyl 4-[[4-(4-chloranylphenoxy)pyridin-3-yl]carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-(4-chloranylphenoxy)pyridin-3-yl]carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[4-(4-chlorophenoxy)-3-pyridyl]carbamoyl]piperidine-1-carboxylate CAS Name: 4-[[[4-(4-chlorophenoxy)-3-pyridinyl]amino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-(4-chlorophenoxy)pyridin-3-yl]carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[[4-(4-chlorophenoxy)-3-pyridyl]carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H26ClN3O4 MolecularWeight: 431.91254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NC2=C(C=CN=C2)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NC2=C(C=CN=C2)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H26ClN3O4/c1-22(2,3)30-21(28)26-12-9-15(10-13-26)20(27)25-18-14-24-11-8-19(18)29-17-6-4-16(23)5-7-17/h4-8,11,14-15H,9-10,12-13H2,1-3H3,(H,25,27)