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

Systemtic Name: 2-[4-[2-[4-(imidazol-1-ylmethyl)-3-propan-2-yl-phenyl]ethynyl]phenyl]propanoic acid Openeye Name: 2-[4-[2-[4-(imidazol-1-ylmethyl)-3-isopropyl-phenyl]ethynyl]phenyl]propanoic acid CAS Name: 2-[4-[2-[4-(1-imidazolylmethyl)-3-propan-2-ylphenyl]ethynyl]phenyl]propanoic acid IUPAC Name: 2-[4-[2-[4-(imidazol-1-ylmethyl)-3-propan-2-ylphenyl]ethynyl]phenyl]propanoic acid Traditional Name: 2-[4-[2-[4-(imidazol-1-ylmethyl)-3-isopropyl-phenyl]ethynyl]phenyl]propionic acid Formula: C24H24N2O2 MolecularWeight: 372.45956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N2O2/c1-17(2)23-14-20(8-11-22(23)15-26-13-12-25-16-26)5-4-19-6-9-21(10-7-19)18(3)24(27)28/h6-14,16-18H,15H2,1-3H3,(H,27,28)