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

Systemtic Name: 6-[5-ethoxycarbonyl-6-(3-methoxyphenyl)-4-methyl-2-oxidanylidene-1,6-dihydropyrimidin-3-yl]hexanoic acid Openeye Name: 6-[5-ethoxycarbonyl-6-(3-methoxyphenyl)-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]hexanoic acid CAS Name: 6-[5-ethoxycarbonyl-6-(3-methoxyphenyl)-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]hexanoic acid IUPAC Name: 6-[5-ethoxycarbonyl-6-(3-methoxyphenyl)-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]hexanoic acid Traditional Name: 6-[5-carbethoxy-2-keto-6-(3-methoxyphenyl)-4-methyl-1,6-dihydropyrimidin-3-yl]hexanoic acid Formula: C21H28N2O6 MolecularWeight: 404.45682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC=C2)OC)CCCCCC(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC=C2)OC)CCCCCC(=O)O)C

InChI

InChI=1S/C21H28N2O6/c1-4-29-20(26)18-14(2)23(12-7-5-6-11-17(24)25)21(27)22-19(18)15-9-8-10-16(13-15)28-3/h8-10,13,19H,4-7,11-12H2,1-3H3,(H,22,27)(H,24,25)