2-[[(1E)-4,4-dicyanobuta-1,3-dienyl]-ethyl-amino]ethyl 2-methylbutanoate

Systemtic Name: 2-[[(1E)-4,4-dicyanobuta-1,3-dienyl]-ethyl-amino]ethyl 2-methylbutanoate Openeye Name: 2-[[(1E)-4,4-dicyanobuta-1,3-dienyl]-ethyl-amino]ethyl 2-methylbutanoate CAS Name: 2-methylbutanoic acid 2-[[(1E)-4,4-dicyanobuta-1,3-dienyl]-ethylamino]ethyl ester IUPAC Name: 2-[[(1E)-4,4-dicyanobuta-1,3-dienyl]-ethylamino]ethyl 2-methylbutanoate Traditional Name: 2-methylbutyric acid 2-[[(1E)-4,4-dicyanobuta-1,3-dienyl]-ethyl-amino]ethyl ester Formula: C15H21N3O2 MolecularWeight: 275.34614

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)OCCN(CC)C=CC=C(C#N)C#N

Isomeric SMILES

CCC(C)C(=O)OCCN(CC)/C=C/C=C(C#N)C#N

InChI

InChI=1S/C15H21N3O2/c1-4-13(3)15(19)20-10-9-18(5-2)8-6-7-14(11-16)12-17/h6-8,13H,4-5,9-10H2,1-3H3/b8-6+