6-[6-(3-fluorophenyl)-5-(2-methoxyethoxycarbonyl)-4-methyl-2-oxidanylidene-1,6-dihydropyrimidin-3-yl]hexanoic acid

Systemtic Name: 6-[6-(3-fluorophenyl)-5-(2-methoxyethoxycarbonyl)-4-methyl-2-oxidanylidene-1,6-dihydropyrimidin-3-yl]hexanoic acid Openeye Name: 6-[6-(3-fluorophenyl)-5-(2-methoxyethoxycarbonyl)-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]hexanoic acid CAS Name: 6-[6-(3-fluorophenyl)-5-[2-methoxyethoxy(oxo)methyl]-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]hexanoic acid IUPAC Name: 6-[6-(3-fluorophenyl)-5-(2-methoxyethoxycarbonyl)-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]hexanoic acid Traditional Name: 6-[6-(3-fluorophenyl)-2-keto-5-(2-methoxyethoxycarbonyl)-4-methyl-1,6-dihydropyrimidin-3-yl]hexanoic acid Formula: C21H27FN2O6 MolecularWeight: 422.447283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1CCCCCC(=O)O)C2=CC(=CC=C2)F)C(=O)OCCOC

Isomeric SMILES

CC1=C(C(NC(=O)N1CCCCCC(=O)O)C2=CC(=CC=C2)F)C(=O)OCCOC

InChI

InChI=1S/C21H27FN2O6/c1-14-18(20(27)30-12-11-29-2)19(15-7-6-8-16(22)13-15)23-21(28)24(14)10-5-3-4-9-17(25)26/h6-8,13,19H,3-5,9-12H2,1-2H3,(H,23,28)(H,25,26)