tert-butyl 4-[4-[3,4-bis(chloranyl)phenoxy]piperidin-1-yl]-4-cyano-piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[3,4-bis(chloranyl)phenoxy]piperidin-1-yl]-4-cyano-piperidine-1-carboxylate Openeye Name: tert-butyl 4-cyano-4-[4-(3,4-dichlorophenoxy)-1-piperidyl]piperidine-1-carboxylate CAS Name: 4-cyano-4-[4-(3,4-dichlorophenoxy)-1-piperidinyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-cyano-4-[4-(3,4-dichlorophenoxy)piperidin-1-yl]piperidine-1-carboxylate Traditional Name: 4-cyano-4-[4-(3,4-dichlorophenoxy)piperidino]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H29Cl2N3O3 MolecularWeight: 454.38996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)(C#N)N2CCC(CC2)OC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(C#N)N2CCC(CC2)OC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C22H29Cl2N3O3/c1-21(2,3)30-20(28)26-12-8-22(15-25,9-13-26)27-10-6-16(7-11-27)29-17-4-5-18(23)19(24)14-17/h4-5,14,16H,6-13H2,1-3H3