2-ethylhexanoate; 2-(1-methylimidazol-1-ium-1-yl)ethyl (Z)-3-cyano-3-(4-dimethylaminophenyl)prop-2-enoate

Systemtic Name: 2-ethylhexanoate; 2-(1-methylimidazol-1-ium-1-yl)ethyl (Z)-3-cyano-3-(4-dimethylaminophenyl)prop-2-enoate Openeye Name: 2-ethylhexanoate; 2-(1-methylimidazol-1-ium-1-yl)ethyl (Z)-3-cyano-3-(4-dimethylaminophenyl)prop-2-enoate CAS Name: (Z)-3-cyano-3-(4-dimethylaminophenyl)-2-propenoic acid 2-(1-methyl-1-imidazol-1-iumyl)ethyl ester; 2-ethylhexanoate IUPAC Name: 2-ethylhexanoate; 2-(1-methylimidazol-1-ium-1-yl)ethyl (Z)-3-cyano-3-(4-dimethylaminophenyl)prop-2-enoate Traditional Name: (Z)-3-cyano-3-(4-dimethylaminophenyl)acrylic acid 2-(1-methylimidazol-1-ium-1-yl)ethyl ester; 2-ethylhexanoate Formula: C26H36N4O4 MolecularWeight: 468.58844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)[O-].CN(C)C1=CC=C(C=C1)C(=CC(=O)OCC[N+]2(C=CN=C2)C)C#N

Isomeric SMILES

CCCCC(CC)C(=O)[O-].CN(C)C1=CC=C(C=C1)/C(=C/C(=O)OCC[N+]2(C=CN=C2)C)/C#N

InChI

InChI=1S/C18H21N4O2.C8H16O2/c1-21(2)17-6-4-15(5-7-17)16(13-19)12-18(23)24-11-10-22(3)9-8-20-14-22;1-3-5-6-7(4-2)8(9)10/h4-9,12,14H,10-11H2,1-3H3;7H,3-6H2,1-2H3,(H,9,10)/q+1;/p-1/b16-12+;