3-[4-[4-[4-(2-azanylpropan-2-yl)phenyl]-1-methyl-imidazol-2-yl]phenyl]propanoic acid

Systemtic Name: 3-[4-[4-[4-(2-azanylpropan-2-yl)phenyl]-1-methyl-imidazol-2-yl]phenyl]propanoic acid Openeye Name: 3-[4-[4-[4-(1-amino-1-methyl-ethyl)phenyl]-1-methyl-imidazol-2-yl]phenyl]propanoic acid CAS Name: 3-[4-[4-[4-(2-aminopropan-2-yl)phenyl]-1-methyl-2-imidazolyl]phenyl]propanoic acid IUPAC Name: 3-[4-[4-[4-(2-aminopropan-2-yl)phenyl]-1-methylimidazol-2-yl]phenyl]propanoic acid Traditional Name: 3-[4-[4-[4-(1-amino-1-methyl-ethyl)phenyl]-1-methyl-imidazol-2-yl]phenyl]propionic acid Formula: C22H25N3O2 MolecularWeight: 363.4528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=C(C=C1)C2=CN(C(=N2)C3=CC=C(C=C3)CCC(=O)O)C)N

Isomeric SMILES

CC(C)(C1=CC=C(C=C1)C2=CN(C(=N2)C3=CC=C(C=C3)CCC(=O)O)C)N

InChI

InChI=1S/C22H25N3O2/c1-22(2,23)18-11-9-16(10-12-18)19-14-25(3)21(24-19)17-7-4-15(5-8-17)6-13-20(26)27/h4-5,7-12,14H,6,13,23H2,1-3H3,(H,26,27)