2-[2,2-dimethyl-4,5-bis(phenylmethyl)oxan-4-yl]ethanenitrile

Systemtic Name: 2-[2,2-dimethyl-4,5-bis(phenylmethyl)oxan-4-yl]ethanenitrile Openeye Name: 2-(4,5-dibenzyl-2,2-dimethyl-tetrahydropyran-4-yl)acetonitrile CAS Name: 2-[2,2-dimethyl-4,5-bis(phenylmethyl)-4-oxanyl]acetonitrile IUPAC Name: 2-(4,5-dibenzyl-2,2-dimethyloxan-4-yl)acetonitrile Traditional Name: 2-(4,5-dibenzyl-2,2-dimethyl-tetrahydropyran-4-yl)acetonitrile Formula: C23H27NO MolecularWeight: 333.46658

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C(CO1)CC2=CC=CC=C2)(CC#N)CC3=CC=CC=C3)C

Isomeric SMILES

CC1(CC(C(CO1)CC2=CC=CC=C2)(CC#N)CC3=CC=CC=C3)C

InChI

InChI=1S/C23H27NO/c1-22(2)18-23(13-14-24,16-20-11-7-4-8-12-20)21(17-25-22)15-19-9-5-3-6-10-19/h3-12,21H,13,15-18H2,1-2H3