4-[5-methoxycarbonyl-4-methyl-2-oxidanylidene-6-[4-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-3-yl]butanoic acid

Systemtic Name: 4-[5-methoxycarbonyl-4-methyl-2-oxidanylidene-6-[4-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-3-yl]butanoic acid Openeye Name: 4-[5-methoxycarbonyl-4-methyl-2-oxo-6-[4-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-3-yl]butanoic acid CAS Name: 4-[5-methoxycarbonyl-4-methyl-2-oxo-6-[4-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-3-yl]butanoic acid IUPAC Name: 4-[5-methoxycarbonyl-4-methyl-2-oxo-6-[4-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-3-yl]butanoic acid Traditional Name: 4-[5-carbomethoxy-2-keto-4-methyl-6-[4-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-3-yl]butyric acid Formula: C18H19F3N2O5 MolecularWeight: 400.34907

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC=C(C=C2)C(F)(F)F)C(=O)OC

Isomeric SMILES

CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC=C(C=C2)C(F)(F)F)C(=O)OC

InChI

InChI=1S/C18H19F3N2O5/c1-10-14(16(26)28-2)15(11-5-7-12(8-6-11)18(19,20)21)22-17(27)23(10)9-3-4-13(24)25/h5-8,15H,3-4,9H2,1-2H3,(H,22,27)(H,24,25)