2-(2-methoxy-5-methyl-phenyl)-4-methyl-3-oxidanylidene-heptanenitrile

Systemtic Name: 2-(2-methoxy-5-methyl-phenyl)-4-methyl-3-oxidanylidene-heptanenitrile Openeye Name: 2-(2-methoxy-5-methyl-phenyl)-4-methyl-3-oxo-heptanenitrile CAS Name: 2-(2-methoxy-5-methylphenyl)-4-methyl-3-oxoheptanenitrile IUPAC Name: 2-(2-methoxy-5-methylphenyl)-4-methyl-3-oxoheptanenitrile Traditional Name: 3-keto-2-(2-methoxy-5-methyl-phenyl)-4-methyl-enanthonitrile Formula: C16H21NO2 MolecularWeight: 259.34344

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(=O)C(C#N)C1=C(C=CC(=C1)C)OC

Isomeric SMILES

CCCC(C)C(=O)C(C#N)C1=C(C=CC(=C1)C)OC

InChI

InChI=1S/C16H21NO2/c1-5-6-12(3)16(18)14(10-17)13-9-11(2)7-8-15(13)19-4/h7-9,12,14H,5-6H2,1-4H3