2-[4-(2,3-diheptoxypropoxy)phenyl]ethanenitrile

Systemtic Name: 2-[4-(2,3-diheptoxypropoxy)phenyl]ethanenitrile Openeye Name: 2-[4-(2,3-diheptoxypropoxy)phenyl]acetonitrile CAS Name: 2-[4-(2,3-diheptoxypropoxy)phenyl]acetonitrile IUPAC Name: 2-[4-(2,3-diheptoxypropoxy)phenyl]acetonitrile Traditional Name: 2-[4-(2,3-diheptoxypropoxy)phenyl]acetonitrile Formula: C25H41NO3 MolecularWeight: 403.59794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOCC(COC1=CC=C(C=C1)CC#N)OCCCCCCC

Isomeric SMILES

CCCCCCCOCC(COC1=CC=C(C=C1)CC#N)OCCCCCCC

InChI

InChI=1S/C25H41NO3/c1-3-5-7-9-11-19-27-21-25(28-20-12-10-8-6-4-2)22-29-24-15-13-23(14-16-24)17-18-26/h13-16,25H,3-12,17,19-22H2,1-2H3