3-[3-chloranyl-4-(imidazol-1-ylmethyl)phenyl]propanoic acid

Systemtic Name: 3-[3-chloranyl-4-(imidazol-1-ylmethyl)phenyl]propanoic acid Openeye Name: 3-[3-chloro-4-(imidazol-1-ylmethyl)phenyl]propanoic acid CAS Name: 3-[3-chloro-4-(1-imidazolylmethyl)phenyl]propanoic acid IUPAC Name: 3-[3-chloro-4-(imidazol-1-ylmethyl)phenyl]propanoic acid Traditional Name: 3-[3-chloro-4-(imidazol-1-ylmethyl)phenyl]propionic acid Formula: C13H13ClN2O2 MolecularWeight: 264.70752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CCC(=O)O)Cl)CN2C=CN=C2

Isomeric SMILES

C1=CC(=C(C=C1CCC(=O)O)Cl)CN2C=CN=C2

InChI

InChI=1S/C13H13ClN2O2/c14-12-7-10(2-4-13(17)18)1-3-11(12)8-16-6-5-15-9-16/h1,3,5-7,9H,2,4,8H2,(H,17,18)