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

Systemtic Name: 4-[5-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid Openeye Name: 4-[5-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid CAS Name: 4-[5-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid IUPAC Name: 4-[5-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid Traditional Name: 4-[5-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid Formula: C21H16N2O3 MolecularWeight: 344.36334

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CN=C3C(=C2)C(=CN3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)C2=CN=C3C(=C2)C(=CN3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H16N2O3/c1-26-17-4-2-3-15(9-17)16-10-18-19(12-23-20(18)22-11-16)13-5-7-14(8-6-13)21(24)25/h2-12H,1H3,(H,22,23)(H,24,25)