2-[4-[2-[4-(imidazol-1-ylmethyl)-3-methyl-phenyl]ethynyl]phenyl]propanoic acid

Systemtic Name: 2-[4-[2-[4-(imidazol-1-ylmethyl)-3-methyl-phenyl]ethynyl]phenyl]propanoic acid Openeye Name: 2-[4-[2-[4-(imidazol-1-ylmethyl)-3-methyl-phenyl]ethynyl]phenyl]propanoic acid CAS Name: 2-[4-[2-[4-(1-imidazolylmethyl)-3-methylphenyl]ethynyl]phenyl]propanoic acid IUPAC Name: 2-[4-[2-[4-(imidazol-1-ylmethyl)-3-methylphenyl]ethynyl]phenyl]propanoic acid Traditional Name: 2-[4-[2-[4-(imidazol-1-ylmethyl)-3-methyl-phenyl]ethynyl]phenyl]propionic acid Formula: C22H20N2O2 MolecularWeight: 344.4064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#CC2=CC=C(C=C2)C(C)C(=O)O)CN3C=CN=C3

Isomeric SMILES

CC1=C(C=CC(=C1)C#CC2=CC=C(C=C2)C(C)C(=O)O)CN3C=CN=C3

InChI

InChI=1S/C22H20N2O2/c1-16-13-19(7-10-21(16)14-24-12-11-23-15-24)4-3-18-5-8-20(9-6-18)17(2)22(25)26/h5-13,15,17H,14H2,1-2H3,(H,25,26)