4,4-dimethyl-2-methylidene-pentanoic acid; (2E,4E)-4-methyl-5-phenyl-penta-2,4-dienenitrile

Systemtic Name: 4,4-dimethyl-2-methylidene-pentanoic acid; (2E,4E)-4-methyl-5-phenyl-penta-2,4-dienenitrile Openeye Name: 4,4-dimethyl-2-methylene-pentanoic acid; (2E,4E)-4-methyl-5-phenyl-penta-2,4-dienenitrile CAS Name: 4,4-dimethyl-2-methylenepentanoic acid; (2E,4E)-4-methyl-5-phenylpenta-2,4-dienenitrile IUPAC Name: 4,4-dimethyl-2-methylidenepentanoic acid; (2E,4E)-4-methyl-5-phenylpenta-2,4-dienenitrile Traditional Name: (2E,4E)-4-methyl-5-phenyl-penta-2,4-dienenitrile; 2-neopentylacrylic acid Formula: C20H25NO2 MolecularWeight: 311.418

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CC=C1)C=CC#N.CC(C)(C)CC(=C)C(=O)O

Isomeric SMILES

C/C(=C\C1=CC=CC=C1)/C=C/C#N.CC(C)(C)CC(=C)C(=O)O

InChI

InChI=1S/C12H11N.C8H14O2/c1-11(6-5-9-13)10-12-7-3-2-4-8-12;1-6(7(9)10)5-8(2,3)4/h2-8,10H,1H3;1,5H2,2-4H3,(H,9,10)/b6-5+,11-10+;