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

Systemtic Name: 4-[2-[4-(imidazol-1-ylmethyl)-3-methyl-phenyl]ethynyl]benzoic acid Openeye Name: 4-[2-[4-(imidazol-1-ylmethyl)-3-methyl-phenyl]ethynyl]benzoic acid CAS Name: 4-[2-[4-(1-imidazolylmethyl)-3-methylphenyl]ethynyl]benzoic acid IUPAC Name: 4-[2-[4-(imidazol-1-ylmethyl)-3-methylphenyl]ethynyl]benzoic acid Traditional Name: 4-[2-[4-(imidazol-1-ylmethyl)-3-methyl-phenyl]ethynyl]benzoic acid Formula: C20H16N2O2 MolecularWeight: 316.35324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N2O2/c1-15-12-17(6-9-19(15)13-22-11-10-21-14-22)3-2-16-4-7-18(8-5-16)20(23)24/h4-12,14H,13H2,1H3,(H,23,24)