2,5-dimethyl-1-(pyridin-4-ylmethyl)pyrrole-3-carboxylic acid

Systemtic Name: 2,5-dimethyl-1-(pyridin-4-ylmethyl)pyrrole-3-carboxylic acid Openeye Name: 2,5-dimethyl-1-(4-pyridylmethyl)pyrrole-3-carboxylic acid CAS Name: 2,5-dimethyl-1-(pyridin-4-ylmethyl)-3-pyrrolecarboxylic acid IUPAC Name: 2,5-dimethyl-1-(pyridin-4-ylmethyl)pyrrole-3-carboxylic acid Traditional Name: 2,5-dimethyl-1-(4-pyridylmethyl)pyrrole-3-carboxylic acid Formula: C13H14N2O2 MolecularWeight: 230.26246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=NC=C2)C)C(=O)O

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=NC=C2)C)C(=O)O

InChI

InChI=1S/C13H14N2O2/c1-9-7-12(13(16)17)10(2)15(9)8-11-3-5-14-6-4-11/h3-7H,8H2,1-2H3,(H,16,17)