3-methyl-5-octoxy-2-phenyl-benzenecarbonitrile

Systemtic Name: 3-methyl-5-octoxy-2-phenyl-benzenecarbonitrile Openeye Name: 3-methyl-5-octoxy-2-phenyl-benzonitrile CAS Name: 3-methyl-5-octoxy-2-phenylbenzonitrile IUPAC Name: 3-methyl-5-octoxy-2-phenylbenzonitrile Traditional Name: 3-methyl-5-octoxy-2-phenyl-benzonitrile Formula: C22H27NO MolecularWeight: 321.45588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO/c1-3-4-5-6-7-11-14-24-21-15-18(2)22(20(16-21)17-23)19-12-9-8-10-13-19/h8-10,12-13,15-16H,3-7,11,14H2,1-2H3