ethyl 4-cyano-4-(3,5-dimethoxyphenyl)-3,3-dimethyl-heptanoate

Systemtic Name: ethyl 4-cyano-4-(3,5-dimethoxyphenyl)-3,3-dimethyl-heptanoate Openeye Name: ethyl 4-cyano-4-(3,5-dimethoxyphenyl)-3,3-dimethyl-heptanoate CAS Name: 4-cyano-4-(3,5-dimethoxyphenyl)-3,3-dimethylheptanoic acid ethyl ester IUPAC Name: ethyl 4-cyano-4-(3,5-dimethoxyphenyl)-3,3-dimethylheptanoate Traditional Name: 4-cyano-4-(3,5-dimethoxyphenyl)-3,3-dimethyl-enanthic acid ethyl ester Formula: C20H29NO4 MolecularWeight: 347.44856

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C#N)(C1=CC(=CC(=C1)OC)OC)C(C)(C)CC(=O)OCC

Isomeric SMILES

CCCC(C#N)(C1=CC(=CC(=C1)OC)OC)C(C)(C)CC(=O)OCC

InChI

InChI=1S/C20H29NO4/c1-7-9-20(14-21,19(3,4)13-18(22)25-8-2)15-10-16(23-5)12-17(11-15)24-6/h10-12H,7-9,13H2,1-6H3