methyl 3-[[1-[[4-(2-cyanophenyl)phenyl]methyl]-4-methyl-6-oxidanylidene-2-propyl-pyrimidin-5-yl]methyl]benzoate

Systemtic Name: methyl 3-[[1-[[4-(2-cyanophenyl)phenyl]methyl]-4-methyl-6-oxidanylidene-2-propyl-pyrimidin-5-yl]methyl]benzoate Openeye Name: methyl 3-[[1-[[4-(2-cyanophenyl)phenyl]methyl]-4-methyl-6-oxo-2-propyl-pyrimidin-5-yl]methyl]benzoate CAS Name: 3-[[1-[[4-(2-cyanophenyl)phenyl]methyl]-4-methyl-6-oxo-2-propyl-5-pyrimidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[1-[[4-(2-cyanophenyl)phenyl]methyl]-4-methyl-6-oxo-2-propylpyrimidin-5-yl]methyl]benzoate Traditional Name: 3-[[1-[4-(2-cyanophenyl)benzyl]-6-keto-4-methyl-2-propyl-pyrimidin-5-yl]methyl]benzoic acid methyl ester Formula: C31H29N3O3 MolecularWeight: 491.58026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)CC4=CC=CC(=C4)C(=O)OC)C

Isomeric SMILES

CCCC1=NC(=C(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)CC4=CC=CC(=C4)C(=O)OC)C

InChI

InChI=1S/C31H29N3O3/c1-4-8-29-33-21(2)28(18-23-9-7-11-25(17-23)31(36)37-3)30(35)34(29)20-22-13-15-24(16-14-22)27-12-6-5-10-26(27)19-32/h5-7,9-17H,4,8,18,20H2,1-3H3