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

Systemtic Name: 4-[[6-(4-cyanophenyl)-5-ethoxycarbonyl-4-methyl-2-oxidanylidene-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid Openeye Name: 4-[[6-(4-cyanophenyl)-5-ethoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid CAS Name: 4-[[6-(4-cyanophenyl)-5-ethoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid IUPAC Name: 4-[[6-(4-cyanophenyl)-5-ethoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid Traditional Name: 4-[[5-carbethoxy-6-(4-cyanophenyl)-2-keto-4-methyl-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid Formula: C23H21N3O5 MolecularWeight: 419.42994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)C#N)CC3=CC=C(C=C3)C(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)C#N)CC3=CC=C(C=C3)C(=O)O)C

InChI

InChI=1S/C23H21N3O5/c1-3-31-22(29)19-14(2)26(13-16-6-10-18(11-7-16)21(27)28)23(30)25-20(19)17-8-4-15(12-24)5-9-17/h4-11,20H,3,13H2,1-2H3,(H,25,30)(H,27,28)