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

Systemtic Name: 4-[6-(1,3-benzodioxol-5-yl)-5-methoxycarbonyl-4-methyl-2-oxidanylidene-1,6-dihydropyrimidin-3-yl]butanoic acid Openeye Name: 4-[6-(1,3-benzodioxol-5-yl)-5-methoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid CAS Name: 4-[6-(1,3-benzodioxol-5-yl)-5-methoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid IUPAC Name: 4-[6-(1,3-benzodioxol-5-yl)-5-methoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid Traditional Name: 4-[6-(1,3-benzodioxol-5-yl)-5-carbomethoxy-2-keto-4-methyl-1,6-dihydropyrimidin-3-yl]butyric acid Formula: C18H20N2O7 MolecularWeight: 376.3606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC3=C(C=C2)OCO3)C(=O)OC

Isomeric SMILES

CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC3=C(C=C2)OCO3)C(=O)OC

InChI

InChI=1S/C18H20N2O7/c1-10-15(17(23)25-2)16(11-5-6-12-13(8-11)27-9-26-12)19-18(24)20(10)7-3-4-14(21)22/h5-6,8,16H,3-4,7,9H2,1-2H3,(H,19,24)(H,21,22)