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

Systemtic Name: 3-[[1-[[4-(2-cyanophenyl)phenyl]methyl]-4-methyl-6-oxidanylidene-2-propyl-pyrimidin-5-yl]methyl]benzoic acid Openeye Name: 3-[[1-[[4-(2-cyanophenyl)phenyl]methyl]-4-methyl-6-oxo-2-propyl-pyrimidin-5-yl]methyl]benzoic acid CAS Name: 3-[[1-[[4-(2-cyanophenyl)phenyl]methyl]-4-methyl-6-oxo-2-propyl-5-pyrimidinyl]methyl]benzoic acid IUPAC Name: 3-[[1-[[4-(2-cyanophenyl)phenyl]methyl]-4-methyl-6-oxo-2-propylpyrimidin-5-yl]methyl]benzoic acid Traditional Name: 3-[[1-[4-(2-cyanophenyl)benzyl]-6-keto-4-methyl-2-propyl-pyrimidin-5-yl]methyl]benzoic acid Formula: C30H27N3O3 MolecularWeight: 477.55368

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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)O)C

Isomeric SMILES

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

InChI

InChI=1S/C30H27N3O3/c1-3-7-28-32-20(2)27(17-22-8-6-10-24(16-22)30(35)36)29(34)33(28)19-21-12-14-23(15-13-21)26-11-5-4-9-25(26)18-31/h4-6,8-16H,3,7,17,19H2,1-2H3,(H,35,36)