5-(4-ethoxyphenyl)-5-methyl-2-(3-phenoxyphenyl)heptanenitrile

Systemtic Name: 5-(4-ethoxyphenyl)-5-methyl-2-(3-phenoxyphenyl)heptanenitrile Openeye Name: 5-(4-ethoxyphenyl)-5-methyl-2-(3-phenoxyphenyl)heptanenitrile CAS Name: 5-(4-ethoxyphenyl)-5-methyl-2-(3-phenoxyphenyl)heptanenitrile IUPAC Name: 5-(4-ethoxyphenyl)-5-methyl-2-(3-phenoxyphenyl)heptanenitrile Traditional Name: 5-methyl-2-(3-phenoxyphenyl)-5-p-phenetyl-enanthonitrile Formula: C28H31NO2 MolecularWeight: 413.55124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CCC(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2)C3=CC=C(C=C3)OCC

Isomeric SMILES

CCC(C)(CCC(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2)C3=CC=C(C=C3)OCC

InChI

InChI=1S/C28H31NO2/c1-4-28(3,24-14-16-25(17-15-24)30-5-2)19-18-23(21-29)22-10-9-13-27(20-22)31-26-11-7-6-8-12-26/h6-17,20,23H,4-5,18-19H2,1-3H3