N-(3-imidazol-1-ylpropyl)-3,4-bis[(9E,12E)-octadeca-9,12-dienoxy]butan-1-amine

Systemtic Name: N-(3-imidazol-1-ylpropyl)-3,4-bis[(9E,12E)-octadeca-9,12-dienoxy]butan-1-amine Openeye Name: N-(3-imidazol-1-ylpropyl)-3,4-bis[(9E,12E)-octadeca-9,12-dienoxy]butan-1-amine CAS Name: N-[3-(1-imidazolyl)propyl]-3,4-bis[(9E,12E)-octadeca-9,12-dienoxy]-1-butanamine IUPAC Name: N-(3-imidazol-1-ylpropyl)-3,4-bis[(9E,12E)-octadeca-9,12-dienoxy]butan-1-amine Traditional Name: 3,4-bis[(9E,12E)-octadeca-9,12-dienoxy]butyl-(3-imidazol-1-ylpropyl)amine Formula: C46H83N3O2 MolecularWeight: 710.17012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCCOCC(CCNCCCN1C=CN=C1)OCCCCCCCCC=CCC=CCCCCC

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCCCOCC(CCNCCCN1C=CN=C1)OCCCCCCCC/C=C/C/C=C/CCCCC

InChI

InChI=1S/C46H83N3O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42-50-44-46(36-38-47-37-35-40-49-41-39-48-45-49)51-43-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,39,41,45-47H,3-10,15-16,21-38,40,42-44H2,1-2H3/b13-11+,14-12+,19-17+,20-18+