3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-ynoic acid

Systemtic Name: 3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-ynoic acid Openeye Name: 3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-ynoic acid CAS Name: 3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-propynoic acid IUPAC Name: 3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-ynoic acid Traditional Name: 3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]propiolic acid Formula: C22H14N2O3 MolecularWeight: 354.35816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC=C2C3=CN=C4C(=C3)C(=CN4)C#CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC=C2C3=CN=C4C(=C3)C(=CN4)C#CC(=O)O

InChI

InChI=1S/C22H14N2O3/c25-21(26)11-10-15-13-23-22-19(15)12-16(14-24-22)18-8-4-5-9-20(18)27-17-6-2-1-3-7-17/h1-9,12-14H,(H,23,24)(H,25,26)