2-[3-(phenylmethyl)pyrrol-1-yl]ethanoic acid

Systemtic Name: 2-[3-(phenylmethyl)pyrrol-1-yl]ethanoic acid Openeye Name: 2-(3-benzylpyrrol-1-yl)acetic acid CAS Name: 2-[3-(phenylmethyl)-1-pyrrolyl]acetic acid IUPAC Name: 2-(3-benzylpyrrol-1-yl)acetic acid Traditional Name: 2-(3-benzylpyrrol-1-yl)acetic acid Formula: C13H13NO2 MolecularWeight: 215.24782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CN(C=C2)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=CN(C=C2)CC(=O)O

InChI

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