ethyl 2-cyano-2-[4-(2-methoxyphenyl)-2,2-dimethyl-oxan-3-yl]ethanoate

Systemtic Name: ethyl 2-cyano-2-[4-(2-methoxyphenyl)-2,2-dimethyl-oxan-3-yl]ethanoate Openeye Name: ethyl 2-cyano-2-[4-(2-methoxyphenyl)-2,2-dimethyl-tetrahydropyran-3-yl]acetate CAS Name: 2-cyano-2-[4-(2-methoxyphenyl)-2,2-dimethyl-3-oxanyl]acetic acid ethyl ester IUPAC Name: ethyl 2-cyano-2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-3-yl]acetate Traditional Name: 2-cyano-2-[4-(2-methoxyphenyl)-2,2-dimethyl-tetrahydropyran-3-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)C1C(CCOC1(C)C)C2=CC=CC=C2OC

Isomeric SMILES

CCOC(=O)C(C#N)C1C(CCOC1(C)C)C2=CC=CC=C2OC

InChI

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