(E)-3-[5-[2-(1,3-oxazol-2-yl)ethanoylamino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenyl-prop-2-enoic acid

Systemtic Name: (E)-3-[5-[2-(1,3-oxazol-2-yl)ethanoylamino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenyl-prop-2-enoic acid Openeye Name: (E)-3-[5-[(2-oxazol-2-ylacetyl)amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenyl-prop-2-enoic acid CAS Name: (E)-3-[5-[[2-(2-oxazolyl)-1-oxoethyl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenyl-2-propenoic acid IUPAC Name: (E)-3-[5-[[2-(1,3-oxazol-2-yl)acetyl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenylprop-2-enoic acid Traditional Name: (E)-3-[5-[(2-oxazol-2-ylacetyl)amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenyl-acrylic acid Formula: C21H16N4O4 MolecularWeight: 388.37614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=CC2=CNC3=NC=C(C=C23)NC(=O)CC4=NC=CO4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)/C(=C\C2=CNC3=NC=C(C=C23)NC(=O)CC4=NC=CO4)/C(=O)O

InChI

InChI=1S/C21H16N4O4/c26-18(10-19-22-6-7-29-19)25-15-9-16-14(11-23-20(16)24-12-15)8-17(21(27)28)13-4-2-1-3-5-13/h1-9,11-12H,10H2,(H,23,24)(H,25,26)(H,27,28)/b17-8+