2-(1,3-benzodioxol-2-yl)-5,5-diethoxy-2-pentan-3-yl-pentanenitrile

Systemtic Name: 2-(1,3-benzodioxol-2-yl)-5,5-diethoxy-2-pentan-3-yl-pentanenitrile Openeye Name: 2-(1,3-benzodioxol-2-yl)-5,5-diethoxy-2-(1-ethylpropyl)pentanenitrile CAS Name: 2-(1,3-benzodioxol-2-yl)-5,5-diethoxy-2-pentan-3-ylpentanenitrile IUPAC Name: 2-(1,3-benzodioxol-2-yl)-5,5-diethoxy-2-pentan-3-ylpentanenitrile Traditional Name: 2-(1,3-benzodioxol-2-yl)-5,5-diethoxy-2-(1-ethylpropyl)valeronitrile Formula: C21H31NO4 MolecularWeight: 361.47514

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(CCC(OCC)OCC)(C#N)C1OC2=CC=CC=C2O1

Isomeric SMILES

CCC(CC)C(CCC(OCC)OCC)(C#N)C1OC2=CC=CC=C2O1

InChI

InChI=1S/C21H31NO4/c1-5-16(6-2)21(15-22,14-13-19(23-7-3)24-8-4)20-25-17-11-9-10-12-18(17)26-20/h9-12,16,19-20H,5-8,13-14H2,1-4H3