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

Systemtic Name: 4-[5-(3-acetamidophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid Openeye Name: 4-[5-(3-acetamidophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid CAS Name: 4-[5-(3-acetamidophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid IUPAC Name: 4-[5-(3-acetamidophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid Traditional Name: 4-[5-(3-acetamidophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid Formula: C22H17N3O3 MolecularWeight: 371.38868

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C2=CN=C3C(=C2)C(=CN3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C2=CN=C3C(=C2)C(=CN3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C22H17N3O3/c1-13(26)25-18-4-2-3-16(9-18)17-10-19-20(12-24-21(19)23-11-17)14-5-7-15(8-6-14)22(27)28/h2-12H,1H3,(H,23,24)(H,25,26)(H,27,28)