ethyl 2-cyano-2-(2,2-dimethyl-4-phenyl-oxan-4-yl)ethanoate

Systemtic Name: ethyl 2-cyano-2-(2,2-dimethyl-4-phenyl-oxan-4-yl)ethanoate Openeye Name: ethyl 2-cyano-2-(2,2-dimethyl-4-phenyl-tetrahydropyran-4-yl)acetate CAS Name: 2-cyano-2-(2,2-dimethyl-4-phenyl-4-oxanyl)acetic acid ethyl ester IUPAC Name: ethyl 2-cyano-2-(2,2-dimethyl-4-phenyloxan-4-yl)acetate Traditional Name: 2-cyano-2-(2,2-dimethyl-4-phenyl-tetrahydropyran-4-yl)acetic acid ethyl ester Formula: C18H23NO3 MolecularWeight: 301.38012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C1(CCOC(C1)(C)C)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(C#N)C1(CCOC(C1)(C)C)C2=CC=CC=C2

InChI

InChI=1S/C18H23NO3/c1-4-21-16(20)15(12-19)18(14-8-6-5-7-9-14)10-11-22-17(2,3)13-18/h5-9,15H,4,10-11,13H2,1-3H3