ethyl 4-[2-[4-(imidazol-1-ylmethyl)-3-methyl-phenyl]ethynyl]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O2/c1-3-26-22(25)20-9-6-18(7-10-20)4-5-19-8-11-21(17(2)14-19)15-24-13-12-23-16-24/h6-14,16H,3,15H2,1-2H3