3-[4-[[2-(phenylmethyl)imidazol-2-yl]methylamino]phenyl]propanoic acid

Systemtic Name: 3-[4-[[2-(phenylmethyl)imidazol-2-yl]methylamino]phenyl]propanoic acid Openeye Name: 3-[4-[(2-benzylimidazol-2-yl)methylamino]phenyl]propanoic acid CAS Name: 3-[4-[[2-(phenylmethyl)-2-imidazolyl]methylamino]phenyl]propanoic acid IUPAC Name: 3-[4-[(2-benzylimidazol-2-yl)methylamino]phenyl]propanoic acid Traditional Name: 3-[4-[(2-benzylimidazol-2-yl)methylamino]phenyl]propionic acid Formula: C20H21N3O2 MolecularWeight: 335.39964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2(N=CC=N2)CNC3=CC=C(C=C3)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2(N=CC=N2)CNC3=CC=C(C=C3)CCC(=O)O

InChI

InChI=1S/C20H21N3O2/c24-19(25)11-8-16-6-9-18(10-7-16)21-15-20(22-12-13-23-20)14-17-4-2-1-3-5-17/h1-7,9-10,12-13,21H,8,11,14-15H2,(H,24,25)