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

Systemtic Name: 6-[6-(4-cyanophenyl)-5-ethoxycarbonyl-4-methyl-2-oxidanylidene-1,6-dihydropyrimidin-3-yl]hexanoic acid Openeye Name: 6-[6-(4-cyanophenyl)-5-ethoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]hexanoic acid CAS Name: 6-[6-(4-cyanophenyl)-5-ethoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]hexanoic acid IUPAC Name: 6-[6-(4-cyanophenyl)-5-ethoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]hexanoic acid Traditional Name: 6-[5-carbethoxy-6-(4-cyanophenyl)-2-keto-4-methyl-1,6-dihydropyrimidin-3-yl]hexanoic acid Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5/c1-3-29-20(27)18-14(2)24(12-6-4-5-7-17(25)26)21(28)23-19(18)16-10-8-15(13-22)9-11-16/h8-11,19H,3-7,12H2,1-2H3,(H,23,28)(H,25,26)