1-[3,4-bis[(9E,12E)-octadeca-9,12-dienoxy]butyl]-4-phenyl-piperazine

Systemtic Name: 1-[3,4-bis[(9E,12E)-octadeca-9,12-dienoxy]butyl]-4-phenyl-piperazine Openeye Name: 1-[3,4-bis[(9E,12E)-octadeca-9,12-dienoxy]butyl]-4-phenyl-piperazine CAS Name: 1-[3,4-bis[(9E,12E)-octadeca-9,12-dienoxy]butyl]-4-phenylpiperazine IUPAC Name: 1-[3,4-bis[(9E,12E)-octadeca-9,12-dienoxy]butyl]-4-phenylpiperazine Traditional Name: 1-[3,4-bis[(9E,12E)-octadeca-9,12-dienoxy]butyl]-4-phenyl-piperazine Formula: C50H86N2O2 MolecularWeight: 747.23004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCCOCC(CCN1CCN(CC1)C2=CC=CC=C2)OCCCCCCCCC=CCC=CCCCCC

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCCCOCC(CCN1CCN(CC1)C2=CC=CC=C2)OCCCCCCCC/C=C/C/C=C/CCCCC

InChI

InChI=1S/C50H86N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36-46-53-48-50(40-41-51-42-44-52(45-43-51)49-38-34-33-35-39-49)54-47-37-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,33-35,38-39,50H,3-10,15-16,21-32,36-37,40-48H2,1-2H3/b13-11+,14-12+,19-17+,20-18+