ethyl 2-cyano-2-[4-(4-methoxyphenyl)-2,2-dimethyl-oxan-4-yl]ethanoate

Systemtic Name: ethyl 2-cyano-2-[4-(4-methoxyphenyl)-2,2-dimethyl-oxan-4-yl]ethanoate Openeye Name: ethyl 2-cyano-2-[4-(4-methoxyphenyl)-2,2-dimethyl-tetrahydropyran-4-yl]acetate CAS Name: 2-cyano-2-[4-(4-methoxyphenyl)-2,2-dimethyl-4-oxanyl]acetic acid ethyl ester IUPAC Name: ethyl 2-cyano-2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]acetate Traditional Name: 2-cyano-2-[4-(4-methoxyphenyl)-2,2-dimethyl-tetrahydropyran-4-yl]acetic acid ethyl ester Formula: C19H25NO4 MolecularWeight: 331.4061

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO4/c1-5-23-17(21)16(12-20)19(10-11-24-18(2,3)13-19)14-6-8-15(22-4)9-7-14/h6-9,16H,5,10-11,13H2,1-4H3