2-[4-chloranyl-6-(dimethylamino)-2-[[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]methyl]pyrimidin-5-yl]ethanoic acid

Systemtic Name: 2-[4-chloranyl-6-(dimethylamino)-2-[[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]methyl]pyrimidin-5-yl]ethanoic acid Openeye Name: 2-[4-chloro-6-(dimethylamino)-2-[[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]methyl]pyrimidin-5-yl]acetic acid CAS Name: 2-[4-chloro-6-(dimethylamino)-2-[[4-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]phenyl]methyl]-5-pyrimidinyl]acetic acid IUPAC Name: 2-[4-chloro-6-(dimethylamino)-2-[[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]methyl]pyrimidin-5-yl]acetic acid Traditional Name: 2-[4-chloro-6-(dimethylamino)-2-[4-[[(E)-3-phenylacryloyl]amino]benzyl]pyrimidin-5-yl]acetic acid Formula: C24H23ClN4O3 MolecularWeight: 450.91742

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C(=NC(=N1)CC2=CC=C(C=C2)NC(=O)C=CC3=CC=CC=C3)Cl)CC(=O)O

Isomeric SMILES

CN(C)C1=C(C(=NC(=N1)CC2=CC=C(C=C2)NC(=O)/C=C/C3=CC=CC=C3)Cl)CC(=O)O

InChI

InChI=1S/C24H23ClN4O3/c1-29(2)24-19(15-22(31)32)23(25)27-20(28-24)14-17-8-11-18(12-9-17)26-21(30)13-10-16-6-4-3-5-7-16/h3-13H,14-15H2,1-2H3,(H,26,30)(H,31,32)/b13-10+