(E)-3-[2-(imidazol-1-ylmethyl)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-(imidazol-1-ylmethyl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[2-(imidazol-1-ylmethyl)phenyl]prop-2-enoic acid CAS Name: (E)-3-[2-(1-imidazolylmethyl)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[2-(imidazol-1-ylmethyl)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[2-(imidazol-1-ylmethyl)phenyl]acrylic acid Formula: C13H12N2O2 MolecularWeight: 228.24658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C=CN=C2)C=CC(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)CN2C=CN=C2)/C=C/C(=O)O

InChI

InChI=1S/C13H12N2O2/c16-13(17)6-5-11-3-1-2-4-12(11)9-15-8-7-14-10-15/h1-8,10H,9H2,(H,16,17)/b6-5+