3-(2-methylcyclopropyl)-2-[4-(2-methylpropoxy)phenyl]-3-oxidanylidene-propanenitrile

Systemtic Name: 3-(2-methylcyclopropyl)-2-[4-(2-methylpropoxy)phenyl]-3-oxidanylidene-propanenitrile Openeye Name: 2-(4-isobutoxyphenyl)-3-(2-methylcyclopropyl)-3-oxo-propanenitrile CAS Name: 3-(2-methylcyclopropyl)-2-[4-(2-methylpropoxy)phenyl]-3-oxopropanenitrile IUPAC Name: 3-(2-methylcyclopropyl)-2-[4-(2-methylpropoxy)phenyl]-3-oxopropanenitrile Traditional Name: 2-(4-isobutoxyphenyl)-3-keto-3-(2-methylcyclopropyl)propionitrile Formula: C17H21NO2 MolecularWeight: 271.35414

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC1C(=O)C(C#N)C2=CC=C(C=C2)OCC(C)C

Isomeric SMILES

CC1CC1C(=O)C(C#N)C2=CC=C(C=C2)OCC(C)C

InChI

InChI=1S/C17H21NO2/c1-11(2)10-20-14-6-4-13(5-7-14)16(9-18)17(19)15-8-12(15)3/h4-7,11-12,15-16H,8,10H2,1-3H3