(5-aminocarbonyl-1H-imidazol-4-yl) 4-methyl-3-octoxy-benzoate

Systemtic Name: (5-aminocarbonyl-1H-imidazol-4-yl) 4-methyl-3-octoxy-benzoate Openeye Name: (5-carbamoyl-1H-imidazol-4-yl) 4-methyl-3-octoxy-benzoate CAS Name: 4-methyl-3-octoxybenzoic acid (5-carbamoyl-1H-imidazol-4-yl) ester IUPAC Name: (5-carbamoyl-1H-imidazol-4-yl) 4-methyl-3-octoxybenzoate Traditional Name: 4-methyl-3-octoxy-benzoic acid (5-carbamoyl-1H-imidazol-4-yl) ester Formula: C20H27N3O4 MolecularWeight: 373.44608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=CC(=C1)C(=O)OC2=C(NC=N2)C(=O)N)C

Isomeric SMILES

CCCCCCCCOC1=C(C=CC(=C1)C(=O)OC2=C(NC=N2)C(=O)N)C

InChI

InChI=1S/C20H27N3O4/c1-3-4-5-6-7-8-11-26-16-12-15(10-9-14(16)2)20(25)27-19-17(18(21)24)22-13-23-19/h9-10,12-13H,3-8,11H2,1-2H3,(H2,21,24)(H,22,23)