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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O2/c1-17(2)22-13-19(9-10-21(22)15-25-12-11-24-16-25)6-3-18-4-7-20(8-5-18)14-23(26)27/h4-5,7-13,16-17H,14-15H2,1-2H3,(H,26,27)