(2Z,4E)-2-[4-(2-pentylpyrimidin-5-yl)phenyl]hexa-2,4-dienoate

Systemtic Name: (2Z,4E)-2-[4-(2-pentylpyrimidin-5-yl)phenyl]hexa-2,4-dienoate Openeye Name: (2Z,4E)-2-[4-(2-pentylpyrimidin-5-yl)phenyl]hexa-2,4-dienoate CAS Name: (2Z,4E)-2-[4-(2-pentyl-5-pyrimidinyl)phenyl]hexa-2,4-dienoate IUPAC Name: (2Z,4E)-2-[4-(2-pentylpyrimidin-5-yl)phenyl]hexa-2,4-dienoate Traditional Name: (2Z,4E)-2-[4-(2-amylpyrimidin-5-yl)phenyl]hexa-2,4-dienoate Formula: C21H23N2O2- MolecularWeight: 335.41952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NC=C(C=N1)C2=CC=C(C=C2)C(=CC=CC)C(=O)[O-]

Isomeric SMILES

CCCCCC1=NC=C(C=N1)C2=CC=C(C=C2)/C(=C/C=C/C)/C(=O)[O-]

InChI

InChI=1S/C21H24N2O2/c1-3-5-7-9-20-22-14-18(15-23-20)16-10-12-17(13-11-16)19(21(24)25)8-6-4-2/h4,6,8,10-15H,3,5,7,9H2,1-2H3,(H,24,25)/p-1/b6-4+,19-8-