4-[3-[[methyl-(phenylmethyl)amino]methyl]pyridin-2-yl]-1H-pyrrole-3-carboxylic acid

Systemtic Name: 4-[3-[[methyl-(phenylmethyl)amino]methyl]pyridin-2-yl]-1H-pyrrole-3-carboxylic acid Openeye Name: 4-[3-[[benzyl(methyl)amino]methyl]-2-pyridyl]-1H-pyrrole-3-carboxylic acid CAS Name: 4-[3-[[methyl-(phenylmethyl)amino]methyl]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid IUPAC Name: 4-[3-[[benzyl(methyl)amino]methyl]pyridin-2-yl]-1H-pyrrole-3-carboxylic acid Traditional Name: 4-[3-[[benzyl(methyl)amino]methyl]-2-pyridyl]-1H-pyrrole-3-carboxylic acid Formula: C19H19N3O2 MolecularWeight: 321.37306

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)CC2=C(N=CC=C2)C3=CNC=C3C(=O)O

Isomeric SMILES

CN(CC1=CC=CC=C1)CC2=C(N=CC=C2)C3=CNC=C3C(=O)O

InChI

InChI=1S/C19H19N3O2/c1-22(12-14-6-3-2-4-7-14)13-15-8-5-9-21-18(15)16-10-20-11-17(16)19(23)24/h2-11,20H,12-13H2,1H3,(H,23,24)