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

Systemtic Name: 6-[6-(4-cyanophenyl)-4-methyl-2-oxidanylidene-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]hexanoic acid Openeye Name: 6-[5-benzyloxycarbonyl-6-(4-cyanophenyl)-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]hexanoic acid CAS Name: 6-[6-(4-cyanophenyl)-4-methyl-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]hexanoic acid IUPAC Name: 6-[6-(4-cyanophenyl)-4-methyl-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]hexanoic acid Traditional Name: 6-[5-carbobenzoxy-6-(4-cyanophenyl)-2-keto-4-methyl-1,6-dihydropyrimidin-3-yl]hexanoic acid Formula: C26H27N3O5 MolecularWeight: 461.50968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1CCCCCC(=O)O)C2=CC=C(C=C2)C#N)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(NC(=O)N1CCCCCC(=O)O)C2=CC=C(C=C2)C#N)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H27N3O5/c1-18-23(25(32)34-17-20-8-4-2-5-9-20)24(21-13-11-19(16-27)12-14-21)28-26(33)29(18)15-7-3-6-10-22(30)31/h2,4-5,8-9,11-14,24H,3,6-7,10,15,17H2,1H3,(H,28,33)(H,30,31)