(E)-2-benzamido-3-(3-pyrimidin-5-ylphenyl)prop-2-enoic acid

Systemtic Name: (E)-2-benzamido-3-(3-pyrimidin-5-ylphenyl)prop-2-enoic acid Openeye Name: (E)-2-benzamido-3-(3-pyrimidin-5-ylphenyl)prop-2-enoic acid CAS Name: (E)-2-benzamido-3-[3-(5-pyrimidinyl)phenyl]-2-propenoic acid IUPAC Name: (E)-2-benzamido-3-(3-pyrimidin-5-ylphenyl)prop-2-enoic acid Traditional Name: (E)-2-benzamido-3-[3-(5-pyrimidyl)phenyl]acrylic acid Formula: C20H15N3O3 MolecularWeight: 345.3514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(=CC2=CC=CC(=C2)C3=CN=CN=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=CC(=C2)C3=CN=CN=C3)/C(=O)O

InChI

InChI=1S/C20H15N3O3/c24-19(15-6-2-1-3-7-15)23-18(20(25)26)10-14-5-4-8-16(9-14)17-11-21-13-22-12-17/h1-13H,(H,23,24)(H,25,26)/b18-10+