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

Systemtic Name: [4-[2-[4-(imidazol-1-ylmethyl)-3-methyl-phenyl]ethynyl]phenyl] ethanoate Openeye Name: [4-[2-[4-(imidazol-1-ylmethyl)-3-methyl-phenyl]ethynyl]phenyl] acetate CAS Name: acetic acid [4-[2-[4-(1-imidazolylmethyl)-3-methylphenyl]ethynyl]phenyl] ester IUPAC Name: [4-[2-[4-(imidazol-1-ylmethyl)-3-methylphenyl]ethynyl]phenyl] acetate Traditional Name: acetic acid [4-[2-[4-(imidazol-1-ylmethyl)-3-methyl-phenyl]ethynyl]phenyl] ester Formula: C21H18N2O2 MolecularWeight: 330.37982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O2/c1-16-13-19(5-8-20(16)14-23-12-11-22-15-23)4-3-18-6-9-21(10-7-18)25-17(2)24/h5-13,15H,14H2,1-2H3