2-[3-(phenylmethyl)imidazol-4-yl]ethanoic acid

Systemtic Name: 2-[3-(phenylmethyl)imidazol-4-yl]ethanoic acid Openeye Name: 2-(3-benzylimidazol-4-yl)acetic acid CAS Name: 2-[3-(phenylmethyl)-4-imidazolyl]acetic acid IUPAC Name: 2-(3-benzylimidazol-4-yl)acetic acid Traditional Name: 2-(3-benzylimidazol-4-yl)acetic acid Formula: C12H12N2O2 MolecularWeight: 216.23588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC=C2CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC=C2CC(=O)O

InChI

InChI=1S/C12H12N2O2/c15-12(16)6-11-7-13-9-14(11)8-10-4-2-1-3-5-10/h1-5,7,9H,6,8H2,(H,15,16)