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

Systemtic Name: 4-[5-(3-aminocarbonylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid Openeye Name: 4-[5-(3-carbamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid CAS Name: 4-[5-(3-carbamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid IUPAC Name: 4-[5-(3-carbamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid Traditional Name: 4-[5-(3-carbamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid Formula: C21H15N3O3 MolecularWeight: 357.3621

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15N3O3/c22-19(25)15-3-1-2-14(8-15)16-9-17-18(11-24-20(17)23-10-16)12-4-6-13(7-5-12)21(26)27/h1-11H,(H2,22,25)(H,23,24)(H,26,27)