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

Systemtic Name: 6-[6-(1,3-benzodioxol-5-yl)-5-ethoxycarbonyl-4-methyl-2-oxidanylidene-1,6-dihydropyrimidin-3-yl]hexanoic acid Openeye Name: 6-[6-(1,3-benzodioxol-5-yl)-5-ethoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]hexanoic acid CAS Name: 6-[6-(1,3-benzodioxol-5-yl)-5-ethoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]hexanoic acid IUPAC Name: 6-[6-(1,3-benzodioxol-5-yl)-5-ethoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]hexanoic acid Traditional Name: 6-[6-(1,3-benzodioxol-5-yl)-5-carbethoxy-2-keto-4-methyl-1,6-dihydropyrimidin-3-yl]hexanoic acid Formula: C21H26N2O7 MolecularWeight: 418.44034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O7/c1-3-28-20(26)18-13(2)23(10-6-4-5-7-17(24)25)21(27)22-19(18)14-8-9-15-16(11-14)30-12-29-15/h8-9,11,19H,3-7,10,12H2,1-2H3,(H,22,27)(H,24,25)