tert-butyl 3-(3-chloranyl-4-cyano-phenoxy)piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-(3-chloranyl-4-cyano-phenoxy)piperidine-1-carboxylate Openeye Name: tert-butyl 3-(3-chloro-4-cyano-phenoxy)piperidine-1-carboxylate CAS Name: 3-(3-chloro-4-cyanophenoxy)-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(3-chloro-4-cyanophenoxy)piperidine-1-carboxylate Traditional Name: 3-(3-chloro-4-cyano-phenoxy)piperidine-1-carboxylic acid tert-butyl ester Formula: C17H21ClN2O3 MolecularWeight: 336.81324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)OC2=CC(=C(C=C2)C#N)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)OC2=CC(=C(C=C2)C#N)Cl

InChI

InChI=1S/C17H21ClN2O3/c1-17(2,3)23-16(21)20-8-4-5-14(11-20)22-13-7-6-12(10-19)15(18)9-13/h6-7,9,14H,4-5,8,11H2,1-3H3