methyl 4-[4-(dicyanomethyl)-5,5-dimethoxy-pentyl]benzoate

Systemtic Name: methyl 4-[4-(dicyanomethyl)-5,5-dimethoxy-pentyl]benzoate Openeye Name: methyl 4-[4-(dicyanomethyl)-5,5-dimethoxy-pentyl]benzoate CAS Name: 4-[4-(dicyanomethyl)-5,5-dimethoxypentyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(dicyanomethyl)-5,5-dimethoxypentyl]benzoate Traditional Name: 4-[4-(dicyanomethyl)-5,5-dimethoxy-pentyl]benzoic acid methyl ester Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O4/c1-22-17(21)14-9-7-13(8-10-14)5-4-6-16(15(11-19)12-20)18(23-2)24-3/h7-10,15-16,18H,4-6H2,1-3H3