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

Systemtic Name: 2-[4-[2-[4-(imidazol-1-ylmethyl)-3-propan-2-yl-phenyl]ethynyl]phenyl]benzoic acid Openeye Name: 2-[4-[2-[4-(imidazol-1-ylmethyl)-3-isopropyl-phenyl]ethynyl]phenyl]benzoic acid CAS Name: 2-[4-[2-[4-(1-imidazolylmethyl)-3-propan-2-ylphenyl]ethynyl]phenyl]benzoic acid IUPAC Name: 2-[4-[2-[4-(imidazol-1-ylmethyl)-3-propan-2-ylphenyl]ethynyl]phenyl]benzoic acid Traditional Name: 2-[4-[2-[4-(imidazol-1-ylmethyl)-3-isopropyl-phenyl]ethynyl]phenyl]benzoic acid Formula: C28H24N2O2 MolecularWeight: 420.50236

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1)C#CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CN4C=CN=C4

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)C#CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CN4C=CN=C4

InChI

InChI=1S/C28H24N2O2/c1-20(2)27-17-22(11-14-24(27)18-30-16-15-29-19-30)8-7-21-9-12-23(13-10-21)25-5-3-4-6-26(25)28(31)32/h3-6,9-17,19-20H,18H2,1-2H3,(H,31,32)