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

Systemtic Name: 4-[2-[4-(imidazol-1-ylmethyl)-3-propan-2-yl-phenyl]ethynyl]benzoic acid Openeye Name: 4-[2-[4-(imidazol-1-ylmethyl)-3-isopropyl-phenyl]ethynyl]benzoic acid CAS Name: 4-[2-[4-(1-imidazolylmethyl)-3-propan-2-ylphenyl]ethynyl]benzoic acid IUPAC Name: 4-[2-[4-(imidazol-1-ylmethyl)-3-propan-2-ylphenyl]ethynyl]benzoic acid Traditional Name: 4-[2-[4-(imidazol-1-ylmethyl)-3-isopropyl-phenyl]ethynyl]benzoic acid Formula: C22H20N2O2 MolecularWeight: 344.4064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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