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

Systemtic Name: 2-[4-[2-[4-(imidazol-1-ylmethyl)-3-methyl-phenyl]ethynyl]phenyl]ethanoic acid Openeye Name: 2-[4-[2-[4-(imidazol-1-ylmethyl)-3-methyl-phenyl]ethynyl]phenyl]acetic acid CAS Name: 2-[4-[2-[4-(1-imidazolylmethyl)-3-methylphenyl]ethynyl]phenyl]acetic acid IUPAC Name: 2-[4-[2-[4-(imidazol-1-ylmethyl)-3-methylphenyl]ethynyl]phenyl]acetic acid Traditional Name: 2-[4-[2-[4-(imidazol-1-ylmethyl)-3-methyl-phenyl]ethynyl]phenyl]acetic acid 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)CC(=O)O)CN3C=CN=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O2/c1-16-12-18(8-9-20(16)14-23-11-10-22-15-23)5-2-17-3-6-19(7-4-17)13-21(24)25/h3-4,6-12,15H,13-14H2,1H3,(H,24,25)