4-[6-(4-cyanophenyl)-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxidanylidene-1,6-dihydropyrimidin-3-yl]butanoic acid

Systemtic Name: 4-[6-(4-cyanophenyl)-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxidanylidene-1,6-dihydropyrimidin-3-yl]butanoic acid Openeye Name: 4-[5-tert-butoxycarbonyl-6-(4-cyanophenyl)-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid CAS Name: 4-[6-(4-cyanophenyl)-4-methyl-5-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid IUPAC Name: 4-[6-(4-cyanophenyl)-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid Traditional Name: 4-[5-tert-butoxycarbonyl-6-(4-cyanophenyl)-2-keto-4-methyl-1,6-dihydropyrimidin-3-yl]butyric acid Formula: C21H25N3O5 MolecularWeight: 399.4403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC=C(C=C2)C#N)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC=C(C=C2)C#N)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H25N3O5/c1-13-17(19(27)29-21(2,3)4)18(15-9-7-14(12-22)8-10-15)23-20(28)24(13)11-5-6-16(25)26/h7-10,18H,5-6,11H2,1-4H3,(H,23,28)(H,25,26)