2,5-dimethyl-1-(pyridin-3-ylmethyl)pyrrole-3-carboxylate

Systemtic Name: 2,5-dimethyl-1-(pyridin-3-ylmethyl)pyrrole-3-carboxylate Openeye Name: 2,5-dimethyl-1-(3-pyridylmethyl)pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-(3-pyridinylmethyl)-3-pyrrolecarboxylate IUPAC Name: 2,5-dimethyl-1-(pyridin-3-ylmethyl)pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-1-(3-pyridylmethyl)pyrrole-3-carboxylate Formula: C13H13N2O2- MolecularWeight: 229.25452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CN=CC=C2)C)C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1CC2=CN=CC=C2)C)C(=O)[O-]

InChI

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