2-ethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid

Systemtic Name: 2-ethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid Openeye Name: 2-ethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid CAS Name: 2-ethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid IUPAC Name: 2-ethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid Traditional Name: 2-ethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid Formula: C22H18N2O2 MolecularWeight: 342.39052

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)C2=CNC3=NC=C(C=C23)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCC1=C(C=CC(=C1)C2=CNC3=NC=C(C=C23)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C22H18N2O2/c1-2-14-10-16(8-9-18(14)22(25)26)20-13-24-21-19(20)11-17(12-23-21)15-6-4-3-5-7-15/h3-13H,2H2,1H3,(H,23,24)(H,25,26)