1-(3-hexadecoxy-2-oxidanyl-propyl)-4-phenyl-piperidine-4-carbonitrile

Systemtic Name: 1-(3-hexadecoxy-2-oxidanyl-propyl)-4-phenyl-piperidine-4-carbonitrile Openeye Name: 1-(3-hexadecoxy-2-hydroxy-propyl)-4-phenyl-piperidine-4-carbonitrile CAS Name: 1-(3-hexadecoxy-2-hydroxypropyl)-4-phenyl-4-piperidinecarbonitrile IUPAC Name: 1-(3-hexadecoxy-2-hydroxypropyl)-4-phenylpiperidine-4-carbonitrile Traditional Name: 1-(3-cetyloxy-2-hydroxy-propyl)-4-phenyl-isonipecotonitrile Formula: C31H52N2O2 MolecularWeight: 484.75678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H52N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-25-35-27-30(34)26-33-23-21-31(28-32,22-24-33)29-19-16-15-17-20-29/h15-17,19-20,30,34H,2-14,18,21-27H2,1H3