3-octoxy-4-phenyl-benzenecarbonitrile

Systemtic Name: 3-octoxy-4-phenyl-benzenecarbonitrile Openeye Name: 3-octoxy-4-phenyl-benzonitrile CAS Name: 3-octoxy-4-phenylbenzonitrile IUPAC Name: 3-octoxy-4-phenylbenzonitrile Traditional Name: 3-octoxy-4-phenyl-benzonitrile Formula: C21H25NO MolecularWeight: 307.4293

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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