3-(1H-imidazol-5-yl)-2-[(3,4,5-triethoxyphenyl)carbonylamino]propanoic acid

Systemtic Name: 3-(1H-imidazol-5-yl)-2-[(3,4,5-triethoxyphenyl)carbonylamino]propanoic acid Openeye Name: 3-(1H-imidazol-5-yl)-2-[(3,4,5-triethoxybenzoyl)amino]propanoic acid CAS Name: 3-(1H-imidazol-5-yl)-2-[[oxo-(3,4,5-triethoxyphenyl)methyl]amino]propanoic acid IUPAC Name: 3-(1H-imidazol-5-yl)-2-[(3,4,5-triethoxybenzoyl)amino]propanoic acid Traditional Name: 3-(1H-imidazol-5-yl)-2-[(3,4,5-triethoxybenzoyl)amino]propionic acid Formula: C19H25N3O6 MolecularWeight: 391.4183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(CC2=CN=CN2)C(=O)O

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(CC2=CN=CN2)C(=O)O

InChI

InChI=1S/C19H25N3O6/c1-4-26-15-7-12(8-16(27-5-2)17(15)28-6-3)18(23)22-14(19(24)25)9-13-10-20-11-21-13/h7-8,10-11,14H,4-6,9H2,1-3H3,(H,20,21)(H,22,23)(H,24,25)