ethyl 2-[5-[[4-(2-cyanophenyl)phenyl]methyl]-2-methyl-6-oxidanylidene-4-pentyl-pyrimidin-1-yl]ethanoate

Systemtic Name: ethyl 2-[5-[[4-(2-cyanophenyl)phenyl]methyl]-2-methyl-6-oxidanylidene-4-pentyl-pyrimidin-1-yl]ethanoate Openeye Name: ethyl 2-[5-[[4-(2-cyanophenyl)phenyl]methyl]-2-methyl-6-oxo-4-pentyl-pyrimidin-1-yl]acetate CAS Name: 2-[5-[[4-(2-cyanophenyl)phenyl]methyl]-2-methyl-6-oxo-4-pentyl-1-pyrimidinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-[[4-(2-cyanophenyl)phenyl]methyl]-2-methyl-6-oxo-4-pentylpyrimidin-1-yl]acetate Traditional Name: 2-[4-amyl-5-[4-(2-cyanophenyl)benzyl]-6-keto-2-methyl-pyrimidin-1-yl]acetic acid ethyl ester Formula: C28H31N3O3 MolecularWeight: 457.56404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=O)N(C(=N1)C)CC(=O)OCC)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

Isomeric SMILES

CCCCCC1=C(C(=O)N(C(=N1)C)CC(=O)OCC)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

InChI

InChI=1S/C28H31N3O3/c1-4-6-7-12-26-25(28(33)31(20(3)30-26)19-27(32)34-5-2)17-21-13-15-22(16-14-21)24-11-9-8-10-23(24)18-29/h8-11,13-16H,4-7,12,17,19H2,1-3H3