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

Systemtic Name: 2-phenyl-5-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)benzoic acid Openeye Name: 2-phenyl-5-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)benzoic acid CAS Name: 2-phenyl-5-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)benzoic acid IUPAC Name: 2-phenyl-5-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)benzoic acid Traditional Name: 2-phenyl-5-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)benzoic acid Formula: C21H16N2O2 MolecularWeight: 328.36394

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=C(C=C2)CC3=C4C=CNC4=NC=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=C(C=C2)CC3=C4C=CNC4=NC=C3)C(=O)O

InChI

InChI=1S/C21H16N2O2/c24-21(25)19-13-14(6-7-17(19)15-4-2-1-3-5-15)12-16-8-10-22-20-18(16)9-11-23-20/h1-11,13H,12H2,(H,22,23)(H,24,25)