3-[4-(1H-imidazol-2-ylmethylamino)phenyl]propanoic acid

Systemtic Name: 3-[4-(1H-imidazol-2-ylmethylamino)phenyl]propanoic acid Openeye Name: 3-[4-(1H-imidazol-2-ylmethylamino)phenyl]propanoic acid CAS Name: 3-[4-(1H-imidazol-2-ylmethylamino)phenyl]propanoic acid IUPAC Name: 3-[4-(1H-imidazol-2-ylmethylamino)phenyl]propanoic acid Traditional Name: 3-[4-(1H-imidazol-2-ylmethylamino)phenyl]propionic acid Formula: C13H15N3O2 MolecularWeight: 245.2771

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)O)NCC2=NC=CN2

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)O)NCC2=NC=CN2

InChI

InChI=1S/C13H15N3O2/c17-13(18)6-3-10-1-4-11(5-2-10)16-9-12-14-7-8-15-12/h1-2,4-5,7-8,16H,3,6,9H2,(H,14,15)(H,17,18)