methyl 4-[3-(dicyanomethyl)-4,4-dimethoxy-butyl]benzoate

Systemtic Name: methyl 4-[3-(dicyanomethyl)-4,4-dimethoxy-butyl]benzoate Openeye Name: methyl 4-[3-(dicyanomethyl)-4,4-dimethoxy-butyl]benzoate CAS Name: 4-[3-(dicyanomethyl)-4,4-dimethoxybutyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(dicyanomethyl)-4,4-dimethoxybutyl]benzoate Traditional Name: 4-[3-(dicyanomethyl)-4,4-dimethoxy-butyl]benzoic acid methyl ester Formula: C17H20N2O4 MolecularWeight: 316.3517

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Descriptors Computed from Structure

Canonical SMILES:

COC(C(CCC1=CC=C(C=C1)C(=O)OC)C(C#N)C#N)OC

Isomeric SMILES

COC(C(CCC1=CC=C(C=C1)C(=O)OC)C(C#N)C#N)OC

InChI

InChI=1S/C17H20N2O4/c1-21-16(20)13-7-4-12(5-8-13)6-9-15(14(10-18)11-19)17(22-2)23-3/h4-5,7-8,14-15,17H,6,9H2,1-3H3