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

Systemtic Name: [4-[2-[4-(imidazol-1-ylmethyl)-3-propan-2-yl-phenyl]ethynyl]phenyl] ethanoate Openeye Name: [4-[2-[4-(imidazol-1-ylmethyl)-3-isopropyl-phenyl]ethynyl]phenyl] acetate CAS Name: acetic acid [4-[2-[4-(1-imidazolylmethyl)-3-propan-2-ylphenyl]ethynyl]phenyl] ester IUPAC Name: [4-[2-[4-(imidazol-1-ylmethyl)-3-propan-2-ylphenyl]ethynyl]phenyl] acetate Traditional Name: acetic acid [4-[2-[4-(imidazol-1-ylmethyl)-3-isopropyl-phenyl]ethynyl]phenyl] ester Formula: C23H22N2O2 MolecularWeight: 358.43298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O2/c1-17(2)23-14-20(6-9-21(23)15-25-13-12-24-16-25)5-4-19-7-10-22(11-8-19)27-18(3)26/h6-14,16-17H,15H2,1-3H3