1-(2,3-dihexadecoxypropyl)-4-phenyl-piperidine-4-carbonitrile

Systemtic Name: 1-(2,3-dihexadecoxypropyl)-4-phenyl-piperidine-4-carbonitrile Openeye Name: 1-(2,3-dihexadecoxypropyl)-4-phenyl-piperidine-4-carbonitrile CAS Name: 1-(2,3-dihexadecoxypropyl)-4-phenyl-4-piperidinecarbonitrile IUPAC Name: 1-(2,3-dihexadecoxypropyl)-4-phenylpiperidine-4-carbonitrile Traditional Name: 1-(2,3-dicetyloxypropyl)-4-phenyl-isonipecotonitrile Formula: C47H84N2O2 MolecularWeight: 709.18206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(CN1CCC(CC1)(C#N)C2=CC=CC=C2)OCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(CN1CCC(CC1)(C#N)C2=CC=CC=C2)OCCCCCCCCCCCCCCCC

InChI

InChI=1S/C47H84N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32-40-50-43-46(42-49-38-36-47(44-48,37-39-49)45-34-30-29-31-35-45)51-41-33-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-31,34-35,46H,3-28,32-33,36-43H2,1-2H3