5-octoxy-2-phenyl-benzenecarbonitrile

Systemtic Name: 5-octoxy-2-phenyl-benzenecarbonitrile Openeye Name: 5-octoxy-2-phenyl-benzonitrile CAS Name: 5-octoxy-2-phenylbenzonitrile IUPAC Name: 5-octoxy-2-phenylbenzonitrile Traditional Name: 5-octoxy-2-phenyl-benzonitrile Formula: C21H25NO MolecularWeight: 307.4293

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC(=C(C=C1)C2=CC=CC=C2)C#N

Isomeric SMILES

CCCCCCCCOC1=CC(=C(C=C1)C2=CC=CC=C2)C#N

InChI

InChI=1S/C21H25NO/c1-2-3-4-5-6-10-15-23-20-13-14-21(19(16-20)17-22)18-11-8-7-9-12-18/h7-9,11-14,16H,2-6,10,15H2,1H3