2-(3,4-dimethoxyphenyl)-2-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]dodecanenitrile

Systemtic Name: 2-(3,4-dimethoxyphenyl)-2-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]dodecanenitrile Openeye Name: 2-(3,4-dimethoxyphenyl)-2-[4-(4-fluorophenyl)-4-oxo-butyl]dodecanenitrile CAS Name: 2-(3,4-dimethoxyphenyl)-2-[4-(4-fluorophenyl)-4-oxobutyl]dodecanenitrile IUPAC Name: 2-(3,4-dimethoxyphenyl)-2-[4-(4-fluorophenyl)-4-oxobutyl]dodecanenitrile Traditional Name: 2-(3,4-dimethoxyphenyl)-2-[4-(4-fluorophenyl)-4-keto-butyl]lauronitrile Formula: C30H40FNO3 MolecularWeight: 481.641903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCCC(=O)C1=CC=C(C=C1)F)(C#N)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCCCCCCCCCC(CCCC(=O)C1=CC=C(C=C1)F)(C#N)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C30H40FNO3/c1-4-5-6-7-8-9-10-11-20-30(23-32,25-16-19-28(34-2)29(22-25)35-3)21-12-13-27(33)24-14-17-26(31)18-15-24/h14-19,22H,4-13,20-21H2,1-3H3