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

Systemtic Name: 4-[5-ethoxycarbonyl-6-[2-(3-iodanylphenyl)carbonyloxyphenyl]-4-methyl-2-oxidanylidene-1,6-dihydropyrimidin-3-yl]butanoic acid Openeye Name: 4-[5-ethoxycarbonyl-6-[2-(3-iodobenzoyl)oxyphenyl]-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid CAS Name: 4-[5-ethoxycarbonyl-6-[2-[(3-iodophenyl)-oxomethoxy]phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid IUPAC Name: 4-[5-ethoxycarbonyl-6-[2-(3-iodobenzoyl)oxyphenyl]-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid Traditional Name: 4-[5-carbethoxy-6-[2-(3-iodobenzoyl)oxyphenyl]-2-keto-4-methyl-1,6-dihydropyrimidin-3-yl]butyric acid Formula: C25H25IN2O7 MolecularWeight: 592.37967

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2OC(=O)C3=CC(=CC=C3)I)CCCC(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2OC(=O)C3=CC(=CC=C3)I)CCCC(=O)O)C

InChI

InChI=1S/C25H25IN2O7/c1-3-34-24(32)21-15(2)28(13-7-12-20(29)30)25(33)27-22(21)18-10-4-5-11-19(18)35-23(31)16-8-6-9-17(26)14-16/h4-6,8-11,14,22H,3,7,12-13H2,1-2H3,(H,27,33)(H,29,30)