tert-butyl 4-[6-cyano-4-(dimethoxymethyl)-7-ethoxy-5-methyl-7-oxidanylidene-heptyl]benzoate

Systemtic Name: tert-butyl 4-[6-cyano-4-(dimethoxymethyl)-7-ethoxy-5-methyl-7-oxidanylidene-heptyl]benzoate Openeye Name: tert-butyl 4-[6-cyano-4-(dimethoxymethyl)-7-ethoxy-5-methyl-7-oxo-heptyl]benzoate CAS Name: 4-[6-cyano-4-(dimethoxymethyl)-7-ethoxy-5-methyl-7-oxoheptyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[6-cyano-4-(dimethoxymethyl)-7-ethoxy-5-methyl-7-oxoheptyl]benzoate Traditional Name: 4-[6-cyano-4-(dimethoxymethyl)-7-ethoxy-7-keto-5-methyl-heptyl]benzoic acid tert-butyl ester Formula: C25H37NO6 MolecularWeight: 447.56438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C(C)C(CCCC1=CC=C(C=C1)C(=O)OC(C)(C)C)C(OC)OC

Isomeric SMILES

CCOC(=O)C(C#N)C(C)C(CCCC1=CC=C(C=C1)C(=O)OC(C)(C)C)C(OC)OC

InChI

InChI=1S/C25H37NO6/c1-8-31-23(28)21(16-26)17(2)20(24(29-6)30-7)11-9-10-18-12-14-19(15-13-18)22(27)32-25(3,4)5/h12-15,17,20-21,24H,8-11H2,1-7H3