(3Z)-2-oxidanylidene-3-(6-phenethyl-1H-pyrimidin-4-ylidene)-4-phenyl-butanoic acid

Systemtic Name: (3Z)-2-oxidanylidene-3-(6-phenethyl-1H-pyrimidin-4-ylidene)-4-phenyl-butanoic acid Openeye Name: (3Z)-2-oxo-3-(6-phenethyl-1H-pyrimidin-4-ylidene)-4-phenyl-butanoic acid CAS Name: (3Z)-2-oxo-3-(6-phenethyl-1H-pyrimidin-4-ylidene)-4-phenylbutanoic acid IUPAC Name: (3Z)-2-oxo-3-(6-phenethyl-1H-pyrimidin-4-ylidene)-4-phenylbutanoic acid Traditional Name: (3Z)-2-keto-3-(6-phenethyl-1H-pyrimidin-4-ylidene)-4-phenyl-butyric acid Formula: C22H20N2O3 MolecularWeight: 360.4058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=CC(=C(CC3=CC=CC=C3)C(=O)C(=O)O)N=CN2

Isomeric SMILES

C1=CC=C(C=C1)CCC2=C/C(=C(\CC3=CC=CC=C3)/C(=O)C(=O)O)/N=CN2

InChI

InChI=1S/C22H20N2O3/c25-21(22(26)27)19(13-17-9-5-2-6-10-17)20-14-18(23-15-24-20)12-11-16-7-3-1-4-8-16/h1-10,14-15H,11-13H2,(H,23,24)(H,26,27)/b20-19-