10-[2-(4-imidazol-1-ylphenyl)carbonyl-4-methyl-phenoxy]decanoic acid

Systemtic Name: 10-[2-(4-imidazol-1-ylphenyl)carbonyl-4-methyl-phenoxy]decanoic acid Openeye Name: 10-[2-(4-imidazol-1-ylbenzoyl)-4-methyl-phenoxy]decanoic acid CAS Name: 10-[2-[[4-(1-imidazolyl)phenyl]-oxomethyl]-4-methylphenoxy]decanoic acid IUPAC Name: 10-[2-(4-imidazol-1-ylbenzoyl)-4-methylphenoxy]decanoic acid Traditional Name: 10-[2-(4-imidazol-1-ylbenzoyl)-4-methyl-phenoxy]capric acid Formula: C27H32N2O4 MolecularWeight: 448.55398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N2O4/c1-21-10-15-25(33-18-8-6-4-2-3-5-7-9-26(30)31)24(19-21)27(32)22-11-13-23(14-12-22)29-17-16-28-20-29/h10-17,19-20H,2-9,18H2,1H3,(H,30,31)