3-chloranyl-4-[2-ethenyl-4-methyl-4-(3-methylphenyl)-2-oxidanyl-pentyl]benzenecarbonitrile

Systemtic Name: 3-chloranyl-4-[2-ethenyl-4-methyl-4-(3-methylphenyl)-2-oxidanyl-pentyl]benzenecarbonitrile Openeye Name: 3-chloro-4-[2-hydroxy-4-methyl-4-(m-tolyl)-2-vinyl-pentyl]benzonitrile CAS Name: 3-chloro-4-[2-ethenyl-2-hydroxy-4-methyl-4-(3-methylphenyl)pentyl]benzonitrile IUPAC Name: 3-chloro-4-[2-ethenyl-2-hydroxy-4-methyl-4-(3-methylphenyl)pentyl]benzonitrile Traditional Name: 3-chloro-4-[2-hydroxy-2-[2-methyl-2-(m-tolyl)propyl]but-3-enyl]benzonitrile Formula: C22H24ClNO MolecularWeight: 353.88506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C)(C)CC(CC2=C(C=C(C=C2)C#N)Cl)(C=C)O

Isomeric SMILES

CC1=CC(=CC=C1)C(C)(C)CC(CC2=C(C=C(C=C2)C#N)Cl)(C=C)O

InChI

InChI=1S/C22H24ClNO/c1-5-22(25,13-18-10-9-17(14-24)12-20(18)23)15-21(3,4)19-8-6-7-16(2)11-19/h5-12,25H,1,13,15H2,2-4H3