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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=CC=CC)C(=O)[O-]

Isomeric SMILES

CCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)/C(=C/C=C/C)/C(=O)[O-]

InChI

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