(2E,4E,6E)-7-(1-butylpyrrol-3-yl)-2-cyano-hepta-2,4,6-trienoic acid

Systemtic Name: (2E,4E,6E)-7-(1-butylpyrrol-3-yl)-2-cyano-hepta-2,4,6-trienoic acid Openeye Name: (2E,4E,6E)-7-(1-butylpyrrol-3-yl)-2-cyano-hepta-2,4,6-trienoic acid CAS Name: (2E,4E,6E)-7-(1-butyl-3-pyrrolyl)-2-cyanohepta-2,4,6-trienoic acid IUPAC Name: (2E,4E,6E)-7-(1-butylpyrrol-3-yl)-2-cyanohepta-2,4,6-trienoic acid Traditional Name: (2E,4E,6E)-7-(1-butylpyrrol-3-yl)-2-cyano-hepta-2,4,6-trienoic acid Formula: C16H18N2O2 MolecularWeight: 270.32632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=CC(=C1)C=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/c1-2-3-10-18-11-9-14(13-18)7-5-4-6-8-15(12-17)16(19)20/h4-9,11,13H,2-3,10H2,1H3,(H,19,20)/b6-4+,7-5+,15-8+