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

Systemtic Name: 4-[4-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)piperazin-1-yl]benzoic acid Openeye Name: 4-[4-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)piperazin-1-yl]benzoic acid CAS Name: 4-[4-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1-piperazinyl]benzoic acid IUPAC Name: 4-[4-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)piperazin-1-yl]benzoic acid Traditional Name: 4-[4-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)piperazino]benzoic acid Formula: C19H20N4O2 MolecularWeight: 336.3877

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CNC2=NC=C1N3CCN(CC3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=C2C=CNC2=NC=C1N3CCN(CC3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C19H20N4O2/c1-13-16-6-7-20-18(16)21-12-17(13)23-10-8-22(9-11-23)15-4-2-14(3-5-15)19(24)25/h2-7,12H,8-11H2,1H3,(H,20,21)(H,24,25)