tert-butyl 4-[4-[4-[3-(4-cyanophenoxy)propyl]piperazin-1-yl]butyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[4-[3-(4-cyanophenoxy)propyl]piperazin-1-yl]butyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[4-[3-(4-cyanophenoxy)propyl]piperazin-1-yl]butyl]piperidine-1-carboxylate CAS Name: 4-[4-[4-[3-(4-cyanophenoxy)propyl]-1-piperazinyl]butyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[4-[3-(4-cyanophenoxy)propyl]piperazin-1-yl]butyl]piperidine-1-carboxylate Traditional Name: 4-[4-[4-[3-(4-cyanophenoxy)propyl]piperazino]butyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C28H44N4O3 MolecularWeight: 484.67396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CCCCN2CCN(CC2)CCCOC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CCCCN2CCN(CC2)CCCOC3=CC=C(C=C3)C#N

InChI

InChI=1S/C28H44N4O3/c1-28(2,3)35-27(33)32-16-12-24(13-17-32)7-4-5-14-30-18-20-31(21-19-30)15-6-22-34-26-10-8-25(23-29)9-11-26/h8-11,24H,4-7,12-22H2,1-3H3