2-[4-butyl-5-[(3-cyano-4-phenyl-phenyl)methyl]-2-methyl-6-oxidanylidene-pyrimidin-1-yl]ethanoic acid

Systemtic Name: 2-[4-butyl-5-[(3-cyano-4-phenyl-phenyl)methyl]-2-methyl-6-oxidanylidene-pyrimidin-1-yl]ethanoic acid Openeye Name: 2-[4-butyl-5-[(3-cyano-4-phenyl-phenyl)methyl]-2-methyl-6-oxo-pyrimidin-1-yl]acetic acid CAS Name: 2-[4-butyl-5-[(3-cyano-4-phenylphenyl)methyl]-2-methyl-6-oxo-1-pyrimidinyl]acetic acid IUPAC Name: 2-[4-butyl-5-[(3-cyano-4-phenylphenyl)methyl]-2-methyl-6-oxopyrimidin-1-yl]acetic acid Traditional Name: 2-[4-butyl-5-(3-cyano-4-phenyl-benzyl)-6-keto-2-methyl-pyrimidin-1-yl]acetic acid Formula: C25H25N3O3 MolecularWeight: 415.4843

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)N(C(=N1)C)CC(=O)O)CC2=CC(=C(C=C2)C3=CC=CC=C3)C#N

Isomeric SMILES

CCCCC1=C(C(=O)N(C(=N1)C)CC(=O)O)CC2=CC(=C(C=C2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C25H25N3O3/c1-3-4-10-23-22(25(31)28(16-24(29)30)17(2)27-23)14-18-11-12-21(20(13-18)15-26)19-8-6-5-7-9-19/h5-9,11-13H,3-4,10,14,16H2,1-2H3,(H,29,30)