(Z)-2-(5-pentylpyrimidin-2-yl)-4-phenyl-hex-2-enoic acid

Systemtic Name: (Z)-2-(5-pentylpyrimidin-2-yl)-4-phenyl-hex-2-enoic acid Openeye Name: (Z)-2-(5-pentylpyrimidin-2-yl)-4-phenyl-hex-2-enoic acid CAS Name: (Z)-2-(5-pentyl-2-pyrimidinyl)-4-phenyl-2-hexenoic acid IUPAC Name: (Z)-2-(5-pentylpyrimidin-2-yl)-4-phenylhex-2-enoic acid Traditional Name: (Z)-2-(5-amylpyrimidin-2-yl)-4-phenyl-hex-2-enoic acid Formula: C21H26N2O2 MolecularWeight: 338.44334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN=C(N=C1)C(=CC(CC)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O2/c1-3-5-7-10-16-14-22-20(23-15-16)19(21(24)25)13-17(4-2)18-11-8-6-9-12-18/h6,8-9,11-15,17H,3-5,7,10H2,1-2H3,(H,24,25)/b19-13-