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

Systemtic Name: tert-butyl 4-[6-cyano-4-(dimethoxymethyl)-7-ethoxy-7-oxidanylidene-heptyl]benzoate Openeye Name: tert-butyl 4-[6-cyano-4-(dimethoxymethyl)-7-ethoxy-7-oxo-heptyl]benzoate CAS Name: 4-[6-cyano-4-(dimethoxymethyl)-7-ethoxy-7-oxoheptyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[6-cyano-4-(dimethoxymethyl)-7-ethoxy-7-oxoheptyl]benzoate Traditional Name: 4-[6-cyano-4-(dimethoxymethyl)-7-ethoxy-7-keto-heptyl]benzoic acid tert-butyl ester Formula: C24H35NO6 MolecularWeight: 433.5378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H35NO6/c1-7-30-21(26)20(16-25)15-19(23(28-5)29-6)10-8-9-17-11-13-18(14-12-17)22(27)31-24(2,3)4/h11-14,19-20,23H,7-10,15H2,1-6H3