2-[[4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]phenyl]methylidene]propanedinitrile

Systemtic Name: 2-[[4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]phenyl]methylidene]propanedinitrile Openeye Name: 2-[[4-[1,1-dimethyl-4-(3-phenoxyphenyl)butyl]phenyl]methylene]propanedinitrile CAS Name: 2-[[4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]phenyl]methylidene]propanedinitrile IUPAC Name: 2-[[4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]phenyl]methylidene]propanedinitrile Traditional Name: 2-[4-[1,1-dimethyl-4-(3-phenoxyphenyl)butyl]benzylidene]malononitrile Formula: C28H26N2O MolecularWeight: 406.51884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCC1=CC(=CC=C1)OC2=CC=CC=C2)C3=CC=C(C=C3)C=C(C#N)C#N

Isomeric SMILES

CC(C)(CCCC1=CC(=CC=C1)OC2=CC=CC=C2)C3=CC=C(C=C3)C=C(C#N)C#N

InChI

InChI=1S/C28H26N2O/c1-28(2,25-15-13-23(14-16-25)18-24(20-29)21-30)17-7-9-22-8-6-12-27(19-22)31-26-10-4-3-5-11-26/h3-6,8,10-16,18-19H,7,9,17H2,1-2H3