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

Systemtic Name: 4-[6-(1,3-benzodioxol-5-yl)-5-ethoxycarbonyl-4-methyl-2-oxidanylidene-1,6-dihydropyrimidin-3-yl]butanoic acid Openeye Name: 4-[6-(1,3-benzodioxol-5-yl)-5-ethoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid CAS Name: 4-[6-(1,3-benzodioxol-5-yl)-5-ethoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid IUPAC Name: 4-[6-(1,3-benzodioxol-5-yl)-5-ethoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid Traditional Name: 4-[6-(1,3-benzodioxol-5-yl)-5-carbethoxy-2-keto-4-methyl-1,6-dihydropyrimidin-3-yl]butyric acid Formula: C19H22N2O7 MolecularWeight: 390.38718

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC3=C(C=C2)OCO3)CCCC(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC3=C(C=C2)OCO3)CCCC(=O)O)C

InChI

InChI=1S/C19H22N2O7/c1-3-26-18(24)16-11(2)21(8-4-5-15(22)23)19(25)20-17(16)12-6-7-13-14(9-12)28-10-27-13/h6-7,9,17H,3-5,8,10H2,1-2H3,(H,20,25)(H,22,23)