2-(3-chloranylpropyl)-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-ethyl-pentanenitrile

Systemtic Name: 2-(3-chloranylpropyl)-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-ethyl-pentanenitrile Openeye Name: 2-(3-chloropropyl)-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-ethyl-pentanenitrile CAS Name: 2-(3-chloropropyl)-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-ethylpentanenitrile IUPAC Name: 2-(3-chloropropyl)-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-ethylpentanenitrile Traditional Name: 2-(3-chloropropyl)-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-ethyl-valeronitrile Formula: C18H24ClNO2 MolecularWeight: 321.84166

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(CCCCl)(C#N)C1COC2=CC=CC=C2O1

Isomeric SMILES

CCC(CC)C(CCCCl)(C#N)C1COC2=CC=CC=C2O1

InChI

InChI=1S/C18H24ClNO2/c1-3-14(4-2)18(13-20,10-7-11-19)17-12-21-15-8-5-6-9-16(15)22-17/h5-6,8-9,14,17H,3-4,7,10-12H2,1-2H3