1-(2-oxidanylhexadecyl)-4-phenyl-piperidine-4-carbonitrile

Systemtic Name: 1-(2-oxidanylhexadecyl)-4-phenyl-piperidine-4-carbonitrile Openeye Name: 1-(2-hydroxyhexadecyl)-4-phenyl-piperidine-4-carbonitrile CAS Name: 1-(2-hydroxyhexadecyl)-4-phenyl-4-piperidinecarbonitrile IUPAC Name: 1-(2-hydroxyhexadecyl)-4-phenylpiperidine-4-carbonitrile Traditional Name: 1-(2-hydroxyhexadecyl)-4-phenyl-isonipecotonitrile Formula: C28H46N2O MolecularWeight: 426.67764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(CN1CCC(CC1)(C#N)C2=CC=CC=C2)O

Isomeric SMILES

CCCCCCCCCCCCCCC(CN1CCC(CC1)(C#N)C2=CC=CC=C2)O

InChI

InChI=1S/C28H46N2O/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-27(31)24-30-22-20-28(25-29,21-23-30)26-17-14-13-15-18-26/h13-15,17-18,27,31H,2-12,16,19-24H2,1H3