2-[2,2-dimethyl-4-(phenylmethyl)oxan-4-yl]ethanenitrile

Systemtic Name: 2-[2,2-dimethyl-4-(phenylmethyl)oxan-4-yl]ethanenitrile Openeye Name: 2-(4-benzyl-2,2-dimethyl-tetrahydropyran-4-yl)acetonitrile CAS Name: 2-[2,2-dimethyl-4-(phenylmethyl)-4-oxanyl]acetonitrile IUPAC Name: 2-(4-benzyl-2,2-dimethyloxan-4-yl)acetonitrile Traditional Name: 2-(4-benzyl-2,2-dimethyl-tetrahydropyran-4-yl)acetonitrile Formula: C16H21NO MolecularWeight: 243.34404

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CCO1)(CC#N)CC2=CC=CC=C2)C

Isomeric SMILES

CC1(CC(CCO1)(CC#N)CC2=CC=CC=C2)C

InChI

InChI=1S/C16H21NO/c1-15(2)13-16(8-10-17,9-11-18-15)12-14-6-4-3-5-7-14/h3-7H,8-9,11-13H2,1-2H3