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

Systemtic Name: 4-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperazin-1-yl]benzoic acid Openeye Name: 4-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperazin-1-yl]benzoic acid CAS Name: 4-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1-piperazinyl]benzoic acid IUPAC Name: 4-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperazin-1-yl]benzoic acid Traditional Name: 4-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperazino]benzoic acid Formula: C19H20N4O2 MolecularWeight: 336.3877

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CNC3=C2C=CC=N3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CNC3=C2C=CC=N3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C19H20N4O2/c24-19(25)14-3-5-16(6-4-14)23-10-8-22(9-11-23)13-15-12-21-18-17(15)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)(H,24,25)