3-[5-[(6-azanyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]furan-2-yl]benzoic acid

Systemtic Name: 3-[5-[(6-azanyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]furan-2-yl]benzoic acid Openeye Name: 3-[5-[(6-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-furyl]benzoic acid CAS Name: 3-[5-[(6-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-furanyl]benzoic acid IUPAC Name: 3-[5-[(6-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]furan-2-yl]benzoic acid Traditional Name: 3-[5-[(6-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-furyl]benzoic acid Formula: C19H15N3O3 MolecularWeight: 333.3407

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)O)C2=CC=C(O2)CC3=CNC4=C3C=CC(=N4)N

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)O)C2=CC=C(O2)CC3=CNC4=C3C=CC(=N4)N

InChI

InChI=1S/C19H15N3O3/c20-17-7-5-15-13(10-21-18(15)22-17)9-14-4-6-16(25-14)11-2-1-3-12(8-11)19(23)24/h1-8,10H,9H2,(H,23,24)(H3,20,21,22)