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

Systemtic Name: 2-ethyl-3-[4-[2-[4-(imidazol-1-ylmethyl)-3-propan-2-yl-phenyl]ethynyl]phenyl]benzoic acid Openeye Name: 2-ethyl-3-[4-[2-[4-(imidazol-1-ylmethyl)-3-isopropyl-phenyl]ethynyl]phenyl]benzoic acid CAS Name: 2-ethyl-3-[4-[2-[4-(1-imidazolylmethyl)-3-propan-2-ylphenyl]ethynyl]phenyl]benzoic acid IUPAC Name: 2-ethyl-3-[4-[2-[4-(imidazol-1-ylmethyl)-3-propan-2-ylphenyl]ethynyl]phenyl]benzoic acid Traditional Name: 2-ethyl-3-[4-[2-[4-(imidazol-1-ylmethyl)-3-isopropyl-phenyl]ethynyl]phenyl]benzoic acid Formula: C30H28N2O2 MolecularWeight: 448.55552

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC=C1C(=O)O)C2=CC=C(C=C2)C#CC3=CC(=C(C=C3)CN4C=CN=C4)C(C)C

Isomeric SMILES

CCC1=C(C=CC=C1C(=O)O)C2=CC=C(C=C2)C#CC3=CC(=C(C=C3)CN4C=CN=C4)C(C)C

InChI

InChI=1S/C30H28N2O2/c1-4-26-27(6-5-7-28(26)30(33)34)24-13-10-22(11-14-24)8-9-23-12-15-25(29(18-23)21(2)3)19-32-17-16-31-20-32/h5-7,10-18,20-21H,4,19H2,1-3H3,(H,33,34)