5-(phenylmethyl)-1H-pyrrole-3-carboxylic acid

Systemtic Name: 5-(phenylmethyl)-1H-pyrrole-3-carboxylic acid Openeye Name: 5-benzyl-1H-pyrrole-3-carboxylic acid CAS Name: 5-(phenylmethyl)-1H-pyrrole-3-carboxylic acid IUPAC Name: 5-benzyl-1H-pyrrole-3-carboxylic acid Traditional Name: 5-benzyl-1H-pyrrole-3-carboxylic acid Formula: C12H11NO2 MolecularWeight: 201.22124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC(=CN2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC(=CN2)C(=O)O

InChI

InChI=1S/C12H11NO2/c14-12(15)10-7-11(13-8-10)6-9-4-2-1-3-5-9/h1-5,7-8,13H,6H2,(H,14,15)