5-(2,5-dimethoxy-3,4,6-trimethyl-phenyl)-5-pyridin-3-yl-pentanenitrile

Systemtic Name: 5-(2,5-dimethoxy-3,4,6-trimethyl-phenyl)-5-pyridin-3-yl-pentanenitrile Openeye Name: 5-(2,5-dimethoxy-3,4,6-trimethyl-phenyl)-5-(3-pyridyl)pentanenitrile CAS Name: 5-(2,5-dimethoxy-3,4,6-trimethylphenyl)-5-(3-pyridinyl)pentanenitrile IUPAC Name: 5-(2,5-dimethoxy-3,4,6-trimethylphenyl)-5-pyridin-3-ylpentanenitrile Traditional Name: 5-(2,5-dimethoxy-3,4,6-trimethyl-phenyl)-5-(3-pyridyl)valeronitrile Formula: C21H26N2O2 MolecularWeight: 338.44334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1OC)C)C(CCCC#N)C2=CN=CC=C2)OC)C

Isomeric SMILES

CC1=C(C(=C(C(=C1OC)C)C(CCCC#N)C2=CN=CC=C2)OC)C

InChI

InChI=1S/C21H26N2O2/c1-14-15(2)21(25-5)19(16(3)20(14)24-4)18(10-6-7-11-22)17-9-8-12-23-13-17/h8-9,12-13,18H,6-7,10H2,1-5H3