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

Systemtic Name: 2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethanoic acid Openeye Name: 2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]acetic acid CAS Name: 2-[3-[(4-cyanophenyl)methyl]-4-imidazolyl]acetic acid IUPAC Name: 2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]acetic acid Traditional Name: 2-[3-(4-cyanobenzyl)imidazol-4-yl]acetic acid Formula: C13H11N3O2 MolecularWeight: 241.24534

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=NC=C2CC(=O)O)C#N

Isomeric SMILES

C1=CC(=CC=C1CN2C=NC=C2CC(=O)O)C#N

InChI

InChI=1S/C13H11N3O2/c14-6-10-1-3-11(4-2-10)8-16-9-15-7-12(16)5-13(17)18/h1-4,7,9H,5,8H2,(H,17,18)