4-(2-oxidanylidene-6-pentyl-oxan-3-yl)benzenecarbonitrile

Systemtic Name: 4-(2-oxidanylidene-6-pentyl-oxan-3-yl)benzenecarbonitrile Openeye Name: 4-(2-oxo-6-pentyl-tetrahydropyran-3-yl)benzonitrile CAS Name: 4-(2-oxo-6-pentyl-3-oxanyl)benzonitrile IUPAC Name: 4-(2-oxo-6-pentyloxan-3-yl)benzonitrile Traditional Name: 4-(6-amyl-2-keto-tetrahydropyran-3-yl)benzonitrile Formula: C17H21NO2 MolecularWeight: 271.35414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(C(=O)O1)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCCC1CCC(C(=O)O1)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C17H21NO2/c1-2-3-4-5-15-10-11-16(17(19)20-15)14-8-6-13(12-18)7-9-14/h6-9,15-16H,2-5,10-11H2,1H3