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

Systemtic Name: [4-[2-[4-(imidazol-1-ylmethyl)-3-propan-2-yl-phenyl]ethynyl]phenyl] benzoate Openeye Name: [4-[2-[4-(imidazol-1-ylmethyl)-3-isopropyl-phenyl]ethynyl]phenyl] benzoate CAS Name: benzoic 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] benzoate Traditional Name: benzoic acid [4-[2-[4-(imidazol-1-ylmethyl)-3-isopropyl-phenyl]ethynyl]phenyl] ester Formula: C28H24N2O2 MolecularWeight: 420.50236

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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)C3=CC=CC=C3)CN4C=CN=C4

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)C#CC2=CC=C(C=C2)OC(=O)C3=CC=CC=C3)CN4C=CN=C4

InChI

InChI=1S/C28H24N2O2/c1-21(2)27-18-23(10-13-25(27)19-30-17-16-29-20-30)9-8-22-11-14-26(15-12-22)32-28(31)24-6-4-3-5-7-24/h3-7,10-18,20-21H,19H2,1-2H3