ethyl 2-cyano-4-(3-methoxyphenyl)-3,3-dimethyl-butanoate

Systemtic Name: ethyl 2-cyano-4-(3-methoxyphenyl)-3,3-dimethyl-butanoate Openeye Name: ethyl 2-cyano-4-(3-methoxyphenyl)-3,3-dimethyl-butanoate CAS Name: 2-cyano-4-(3-methoxyphenyl)-3,3-dimethylbutanoic acid ethyl ester IUPAC Name: ethyl 2-cyano-4-(3-methoxyphenyl)-3,3-dimethylbutanoate Traditional Name: 2-cyano-4-(3-methoxyphenyl)-3,3-dimethyl-butyric acid ethyl ester Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C(C)(C)CC1=CC(=CC=C1)OC

Isomeric SMILES

CCOC(=O)C(C#N)C(C)(C)CC1=CC(=CC=C1)OC

InChI

InChI=1S/C16H21NO3/c1-5-20-15(18)14(11-17)16(2,3)10-12-7-6-8-13(9-12)19-4/h6-9,14H,5,10H2,1-4H3