dimethyl 2-[(E)-4,4-dicyano-5-ethyl-hept-5-enyl]-2-[(E)-3-methylbut-1-enyl]propanedioate

Systemtic Name: dimethyl 2-[(E)-4,4-dicyano-5-ethyl-hept-5-enyl]-2-[(E)-3-methylbut-1-enyl]propanedioate Openeye Name: dimethyl 2-[(E)-4,4-dicyano-5-ethyl-hept-5-enyl]-2-[(E)-3-methylbut-1-enyl]propanedioate CAS Name: 2-[(E)-4,4-dicyano-5-ethylhept-5-enyl]-2-[(E)-3-methylbut-1-enyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(E)-4,4-dicyano-5-ethylhept-5-enyl]-2-[(E)-3-methylbut-1-enyl]propanedioate Traditional Name: 2-[(E)-4,4-dicyano-5-ethyl-hept-5-enyl]-2-[(E)-3-methylbut-1-enyl]malonic acid dimethyl ester Formula: C21H30N2O4 MolecularWeight: 374.4739

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC)C(CCCC(C=CC(C)C)(C(=O)OC)C(=O)OC)(C#N)C#N

Isomeric SMILES

CC/C(=C\C)/C(CCCC(/C=C/C(C)C)(C(=O)OC)C(=O)OC)(C#N)C#N

InChI

InChI=1S/C21H30N2O4/c1-7-17(8-2)20(14-22,15-23)11-9-12-21(18(24)26-5,19(25)27-6)13-10-16(3)4/h7,10,13,16H,8-9,11-12H2,1-6H3/b13-10+,17-7+