5-[4-(4-imidazol-1-ylphenyl)carbonyl-2-methyl-phenoxy]pentanoic acid

Systemtic Name: 5-[4-(4-imidazol-1-ylphenyl)carbonyl-2-methyl-phenoxy]pentanoic acid Openeye Name: 5-[4-(4-imidazol-1-ylbenzoyl)-2-methyl-phenoxy]pentanoic acid CAS Name: 5-[4-[[4-(1-imidazolyl)phenyl]-oxomethyl]-2-methylphenoxy]pentanoic acid IUPAC Name: 5-[4-(4-imidazol-1-ylbenzoyl)-2-methylphenoxy]pentanoic acid Traditional Name: 5-[4-(4-imidazol-1-ylbenzoyl)-2-methyl-phenoxy]valeric acid Formula: C22H22N2O4 MolecularWeight: 378.42108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)C2=CC=C(C=C2)N3C=CN=C3)OCCCCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)C2=CC=C(C=C2)N3C=CN=C3)OCCCCC(=O)O

InChI

InChI=1S/C22H22N2O4/c1-16-14-18(7-10-20(16)28-13-3-2-4-21(25)26)22(27)17-5-8-19(9-6-17)24-12-11-23-15-24/h5-12,14-15H,2-4,13H2,1H3,(H,25,26)