2,5-dimethyl-1-(phenylmethyl)pyrrole-3-carboxylic acid

Systemtic Name: 2,5-dimethyl-1-(phenylmethyl)pyrrole-3-carboxylic acid Openeye Name: 1-benzyl-2,5-dimethyl-pyrrole-3-carboxylic acid CAS Name: 2,5-dimethyl-1-(phenylmethyl)-3-pyrrolecarboxylic acid IUPAC Name: 1-benzyl-2,5-dimethylpyrrole-3-carboxylic acid Traditional Name: 1-benzyl-2,5-dimethyl-pyrrole-3-carboxylic acid Formula: C14H15NO2 MolecularWeight: 229.2744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15NO2/c1-10-8-13(14(16)17)11(2)15(10)9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,16,17)