(2E,4E,6E)-7-(1-butylpyrrol-2-yl)-2-cyano-hepta-2,4,6-trienoic acid

Systemtic Name: (2E,4E,6E)-7-(1-butylpyrrol-2-yl)-2-cyano-hepta-2,4,6-trienoic acid Openeye Name: (2E,4E,6E)-7-(1-butylpyrrol-2-yl)-2-cyano-hepta-2,4,6-trienoic acid CAS Name: (2E,4E,6E)-7-(1-butyl-2-pyrrolyl)-2-cyanohepta-2,4,6-trienoic acid IUPAC Name: (2E,4E,6E)-7-(1-butylpyrrol-2-yl)-2-cyanohepta-2,4,6-trienoic acid Traditional Name: (2E,4E,6E)-7-(1-butylpyrrol-2-yl)-2-cyano-hepta-2,4,6-trienoic acid Formula: C16H18N2O2 MolecularWeight: 270.32632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=CC=C1C=CC=CC=C(C#N)C(=O)O

Isomeric SMILES

CCCCN1C=CC=C1/C=C/C=C/C=C(\C#N)/C(=O)O

InChI

InChI=1S/C16H18N2O2/c1-2-3-11-18-12-7-10-15(18)9-6-4-5-8-14(13-17)16(19)20/h4-10,12H,2-3,11H2,1H3,(H,19,20)/b5-4+,9-6+,14-8+