(2E,4E,6E)-7-(4-butylphenyl)-2-cyano-hepta-2,4,6-trienoic acid

Systemtic Name: (2E,4E,6E)-7-(4-butylphenyl)-2-cyano-hepta-2,4,6-trienoic acid Openeye Name: (2E,4E,6E)-7-(4-butylphenyl)-2-cyano-hepta-2,4,6-trienoic acid CAS Name: (2E,4E,6E)-7-(4-butylphenyl)-2-cyanohepta-2,4,6-trienoic acid IUPAC Name: (2E,4E,6E)-7-(4-butylphenyl)-2-cyanohepta-2,4,6-trienoic acid Traditional Name: (2E,4E,6E)-7-(4-butylphenyl)-2-cyano-hepta-2,4,6-trienoic acid Formula: C18H19NO2 MolecularWeight: 281.34896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C=CC=CC=C(C#N)C(=O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)/C=C/C=C/C=C(\C#N)/C(=O)O

InChI

InChI=1S/C18H19NO2/c1-2-3-7-15-10-12-16(13-11-15)8-5-4-6-9-17(14-19)18(20)21/h4-6,8-13H,2-3,7H2,1H3,(H,20,21)/b6-4+,8-5+,17-9+