3-(octan-2-yloxymethyl)benzenecarbonitrile

Systemtic Name: 3-(octan-2-yloxymethyl)benzenecarbonitrile Openeye Name: 3-(1-methylheptoxymethyl)benzonitrile CAS Name: 3-(octan-2-yloxymethyl)benzonitrile IUPAC Name: 3-(octan-2-yloxymethyl)benzonitrile Traditional Name: 3-(1-methylheptoxymethyl)benzonitrile Formula: C16H23NO MolecularWeight: 245.35992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OCC1=CC=CC(=C1)C#N

Isomeric SMILES

CCCCCCC(C)OCC1=CC=CC(=C1)C#N

InChI

InChI=1S/C16H23NO/c1-3-4-5-6-8-14(2)18-13-16-10-7-9-15(11-16)12-17/h7,9-11,14H,3-6,8,13H2,1-2H3