4-acetamido-3-[2-azanyl-4-(4-methoxycarbonylfuran-2-yl)imidazol-1-yl]benzoic acid

Systemtic Name: 4-acetamido-3-[2-azanyl-4-(4-methoxycarbonylfuran-2-yl)imidazol-1-yl]benzoic acid Openeye Name: 4-acetamido-3-[2-amino-4-(4-methoxycarbonyl-2-furyl)imidazol-1-yl]benzoic acid CAS Name: 4-acetamido-3-[2-amino-4-(4-methoxycarbonyl-2-furanyl)-1-imidazolyl]benzoic acid IUPAC Name: 4-acetamido-3-[2-amino-4-(4-methoxycarbonylfuran-2-yl)imidazol-1-yl]benzoic acid Traditional Name: 4-acetamido-3-[2-amino-4-(4-carbomethoxy-2-furyl)imidazol-1-yl]benzoic acid Formula: C18H16N4O6 MolecularWeight: 384.34284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)C(=O)O)N2C=C(N=C2N)C3=CC(=CO3)C(=O)OC

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)C(=O)O)N2C=C(N=C2N)C3=CC(=CO3)C(=O)OC

InChI

InChI=1S/C18H16N4O6/c1-9(23)20-12-4-3-10(16(24)25)5-14(12)22-7-13(21-18(22)19)15-6-11(8-28-15)17(26)27-2/h3-8H,1-2H3,(H2,19,21)(H,20,23)(H,24,25)