(1-oxidanylidene-1-piperidin-1-yloxy-propan-2-yl) 5-carbamimidoyl-1-benzofuran-2-carboxylate

Systemtic Name: (1-oxidanylidene-1-piperidin-1-yloxy-propan-2-yl) 5-carbamimidoyl-1-benzofuran-2-carboxylate Openeye Name: [1-methyl-2-oxo-2-(1-piperidyloxy)ethyl] 5-carbamimidoylbenzofuran-2-carboxylate CAS Name: 5-carbamimidoyl-2-benzofurancarboxylic acid [1-oxo-1-(1-piperidinyloxy)propan-2-yl] ester IUPAC Name: (1-oxo-1-piperidin-1-yloxypropan-2-yl) 5-carbamimidoyl-1-benzofuran-2-carboxylate Traditional Name: 5-amidinocoumarilic acid (2-keto-1-methyl-2-piperidinooxy-ethyl) ester Formula: C18H21N3O5 MolecularWeight: 359.37644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)ON1CCCCC1)OC(=O)C2=CC3=C(O2)C=CC(=C3)C(=N)N

Isomeric SMILES

CC(C(=O)ON1CCCCC1)OC(=O)C2=CC3=C(O2)C=CC(=C3)C(=N)N

InChI

InChI=1S/C18H21N3O5/c1-11(17(22)26-21-7-3-2-4-8-21)24-18(23)15-10-13-9-12(16(19)20)5-6-14(13)25-15/h5-6,9-11H,2-4,7-8H2,1H3,(H3,19,20)