methyl 3-[[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidin-4-yl]carbonylamino]benzoate

Systemtic Name: methyl 3-[[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 3-[[1-[4-cyano-2-(2-furyl)oxazol-5-yl]piperidine-4-carbonyl]amino]benzoate CAS Name: 3-[[[1-[4-cyano-2-(2-furanyl)-5-oxazolyl]-4-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]amino]benzoate Traditional Name: 3-[[1-[4-cyano-2-(2-furyl)oxazol-5-yl]isonipecotoyl]amino]benzoic acid methyl ester Formula: C22H20N4O5 MolecularWeight: 420.418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)C2CCN(CC2)C3=C(N=C(O3)C4=CC=CO4)C#N

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)C2CCN(CC2)C3=C(N=C(O3)C4=CC=CO4)C#N

InChI

InChI=1S/C22H20N4O5/c1-29-22(28)15-4-2-5-16(12-15)24-19(27)14-7-9-26(10-8-14)21-17(13-23)25-20(31-21)18-6-3-11-30-18/h2-6,11-12,14H,7-10H2,1H3,(H,24,27)