4-phenethyl-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-phenethyl-1H-pyrrole-2-carboxylic acid Openeye Name: 4-phenethyl-1H-pyrrole-2-carboxylic acid CAS Name: 4-phenethyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-phenethyl-1H-pyrrole-2-carboxylic acid Traditional Name: 4-phenethyl-1H-pyrrole-2-carboxylic acid Formula: C13H13NO2 MolecularWeight: 215.24782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=CNC(=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC2=CNC(=C2)C(=O)O

InChI

InChI=1S/C13H13NO2/c15-13(16)12-8-11(9-14-12)7-6-10-4-2-1-3-5-10/h1-5,8-9,14H,6-7H2,(H,15,16)