(3R)-3-[(2S,4S)-2-ethyl-2-methyl-oxan-4-yl]-3-(4-methylphenyl)propanenitrile

Systemtic Name: (3R)-3-[(2S,4S)-2-ethyl-2-methyl-oxan-4-yl]-3-(4-methylphenyl)propanenitrile Openeye Name: (3R)-3-[(2S,4S)-2-ethyl-2-methyl-tetrahydropyran-4-yl]-3-(p-tolyl)propanenitrile CAS Name: (3R)-3-[(2S,4S)-2-ethyl-2-methyl-4-oxanyl]-3-(4-methylphenyl)propanenitrile IUPAC Name: (3R)-3-[(2S,4S)-2-ethyl-2-methyloxan-4-yl]-3-(4-methylphenyl)propanenitrile Traditional Name: (3R)-3-[(2S,4S)-2-ethyl-2-methyl-tetrahydropyran-4-yl]-3-(p-tolyl)propionitrile Formula: C18H25NO MolecularWeight: 271.3972

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(CCO1)C(CC#N)C2=CC=C(C=C2)C)C

Isomeric SMILES

CC[C@]1(C[C@H](CCO1)[C@@H](CC#N)C2=CC=C(C=C2)C)C

InChI

InChI=1S/C18H25NO/c1-4-18(3)13-16(10-12-20-18)17(9-11-19)15-7-5-14(2)6-8-15/h5-8,16-17H,4,9-10,12-13H2,1-3H3/t16-,17-,18-/m0/s1