ethyl (E)-3-[4-[[3-(pyrimidin-2-ylamino)phenyl]carbonylamino]phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[4-[[3-(pyrimidin-2-ylamino)phenyl]carbonylamino]phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[4-[[3-(pyrimidin-2-ylamino)benzoyl]amino]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[[oxo-[3-(2-pyrimidinylamino)phenyl]methyl]amino]phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-[[3-(pyrimidin-2-ylamino)benzoyl]amino]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[[3-(2-pyrimidylamino)benzoyl]amino]phenyl]acrylic acid ethyl ester Formula: C22H20N4O3 MolecularWeight: 388.4192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)NC3=NC=CC=N3

Isomeric SMILES

CCOC(=O)/C=C/C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)NC3=NC=CC=N3

InChI

InChI=1S/C22H20N4O3/c1-2-29-20(27)12-9-16-7-10-18(11-8-16)25-21(28)17-5-3-6-19(15-17)26-22-23-13-4-14-24-22/h3-15H,2H2,1H3,(H,25,28)(H,23,24,26)/b12-9+