2-(3,4-dimethoxyphenyl)-5-oxidanylidene-4-(piperidin-1-ylmethyl)-2-propan-2-yl-5-(2,4,6-trimethylphenyl)pentanenitrile

Systemtic Name: 2-(3,4-dimethoxyphenyl)-5-oxidanylidene-4-(piperidin-1-ylmethyl)-2-propan-2-yl-5-(2,4,6-trimethylphenyl)pentanenitrile Openeye Name: 2-(3,4-dimethoxyphenyl)-2-isopropyl-5-oxo-4-(1-piperidylmethyl)-5-(2,4,6-trimethylphenyl)pentanenitrile CAS Name: 2-(3,4-dimethoxyphenyl)-5-oxo-4-(1-piperidinylmethyl)-2-propan-2-yl-5-(2,4,6-trimethylphenyl)pentanenitrile IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-oxo-4-(piperidin-1-ylmethyl)-2-propan-2-yl-5-(2,4,6-trimethylphenyl)pentanenitrile Traditional Name: 2-(3,4-dimethoxyphenyl)-2-isopropyl-5-keto-5-mesityl-4-(piperidinomethyl)valeronitrile Formula: C31H42N2O3 MolecularWeight: 490.67678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)C(CC(C#N)(C2=CC(=C(C=C2)OC)OC)C(C)C)CN3CCCCC3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)C(CC(C#N)(C2=CC(=C(C=C2)OC)OC)C(C)C)CN3CCCCC3)C

InChI

InChI=1S/C31H42N2O3/c1-21(2)31(20-32,26-11-12-27(35-6)28(17-26)36-7)18-25(19-33-13-9-8-10-14-33)30(34)29-23(4)15-22(3)16-24(29)5/h11-12,15-17,21,25H,8-10,13-14,18-19H2,1-7H3