4-octadecoxy-3-phenylmethoxy-butanenitrile

Systemtic Name: 4-octadecoxy-3-phenylmethoxy-butanenitrile Openeye Name: 3-benzyloxy-4-octadecoxy-butanenitrile CAS Name: 4-octadecoxy-3-phenylmethoxybutanenitrile IUPAC Name: 4-octadecoxy-3-phenylmethoxybutanenitrile Traditional Name: 3-benzoxy-4-stearyloxy-butyronitrile Formula: C29H49NO2 MolecularWeight: 443.70486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CC#N)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CC#N)OCC1=CC=CC=C1

InChI

InChI=1S/C29H49NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-31-27-29(23-24-30)32-26-28-21-18-17-19-22-28/h17-19,21-22,29H,2-16,20,23,25-27H2,1H3