2-[(4S)-4-[(2-chlorophenyl)methyl]-2,2-dimethyl-oxan-4-yl]ethanenitrile

Systemtic Name: 2-[(4S)-4-[(2-chlorophenyl)methyl]-2,2-dimethyl-oxan-4-yl]ethanenitrile Openeye Name: 2-[(4S)-4-[(2-chlorophenyl)methyl]-2,2-dimethyl-tetrahydropyran-4-yl]acetonitrile CAS Name: 2-[(4S)-4-[(2-chlorophenyl)methyl]-2,2-dimethyl-4-oxanyl]acetonitrile IUPAC Name: 2-[(4S)-4-[(2-chlorophenyl)methyl]-2,2-dimethyloxan-4-yl]acetonitrile Traditional Name: 2-[(4S)-4-(2-chlorobenzyl)-2,2-dimethyl-tetrahydropyran-4-yl]acetonitrile Formula: C16H20ClNO MolecularWeight: 277.7891

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CCO1)(CC#N)CC2=CC=CC=C2Cl)C

Isomeric SMILES

CC1(C[C@](CCO1)(CC#N)CC2=CC=CC=C2Cl)C

InChI

InChI=1S/C16H20ClNO/c1-15(2)12-16(7-9-18,8-10-19-15)11-13-5-3-4-6-14(13)17/h3-6H,7-8,10-12H2,1-2H3/t16-/m0/s1