tert-butyl 4-[7-cyano-5-(dimethoxymethyl)-8-ethoxy-8-oxidanylidene-octan-2-yl]benzoate

Systemtic Name: tert-butyl 4-[7-cyano-5-(dimethoxymethyl)-8-ethoxy-8-oxidanylidene-octan-2-yl]benzoate Openeye Name: tert-butyl 4-[6-cyano-4-(dimethoxymethyl)-7-ethoxy-1-methyl-7-oxo-heptyl]benzoate CAS Name: 4-[7-cyano-5-(dimethoxymethyl)-8-ethoxy-8-oxooctan-2-yl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[7-cyano-5-(dimethoxymethyl)-8-ethoxy-8-oxooctan-2-yl]benzoate Traditional Name: 4-[6-cyano-4-(dimethoxymethyl)-7-ethoxy-7-keto-1-methyl-heptyl]benzoic acid tert-butyl ester Formula: C25H37NO6 MolecularWeight: 447.56438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H37NO6/c1-8-31-22(27)21(16-26)15-20(24(29-6)30-7)10-9-17(2)18-11-13-19(14-12-18)23(28)32-25(3,4)5/h11-14,17,20-21,24H,8-10,15H2,1-7H3