tert-butyl 4-[4-[2-(4-bromophenyl)-1,3-dioxolan-2-yl]piperidin-1-yl]-4-cyano-piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[2-(4-bromophenyl)-1,3-dioxolan-2-yl]piperidin-1-yl]-4-cyano-piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[2-(4-bromophenyl)-1,3-dioxolan-2-yl]-1-piperidyl]-4-cyano-piperidine-1-carboxylate CAS Name: 4-[4-[2-(4-bromophenyl)-1,3-dioxolan-2-yl]-1-piperidinyl]-4-cyano-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[2-(4-bromophenyl)-1,3-dioxolan-2-yl]piperidin-1-yl]-4-cyanopiperidine-1-carboxylate Traditional Name: 4-[4-[2-(4-bromophenyl)-1,3-dioxolan-2-yl]piperidino]-4-cyano-piperidine-1-carboxylic acid tert-butyl ester Formula: C25H34BrN3O4 MolecularWeight: 520.45916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)(C#N)N2CCC(CC2)C3(OCCO3)C4=CC=C(C=C4)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(C#N)N2CCC(CC2)C3(OCCO3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C25H34BrN3O4/c1-23(2,3)33-22(30)28-14-10-24(18-27,11-15-28)29-12-8-20(9-13-29)25(31-16-17-32-25)19-4-6-21(26)7-5-19/h4-7,20H,8-17H2,1-3H3