methyl 2-[2-[[1-(furan-2-ylcarbonyl)piperidin-4-yl]carbonyl-methyl-amino]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[[1-(furan-2-ylcarbonyl)piperidin-4-yl]carbonyl-methyl-amino]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[[1-(furan-2-carbonyl)piperidine-4-carbonyl]-methyl-amino]acetyl]amino]benzoate CAS Name: 2-[[2-[[[1-[2-furanyl(oxo)methyl]-4-piperidinyl]-oxomethyl]-methylamino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[[1-(furan-2-carbonyl)piperidine-4-carbonyl]-methylamino]acetyl]amino]benzoate Traditional Name: 2-[[2-[[1-(2-furoyl)isonipecotoyl]-methyl-amino]acetyl]amino]benzoic acid methyl ester Formula: C22H25N3O6 MolecularWeight: 427.4504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=CC=C1C(=O)OC)C(=O)C2CCN(CC2)C(=O)C3=CC=CO3

Isomeric SMILES

CN(CC(=O)NC1=CC=CC=C1C(=O)OC)C(=O)C2CCN(CC2)C(=O)C3=CC=CO3

InChI

InChI=1S/C22H25N3O6/c1-24(14-19(26)23-17-7-4-3-6-16(17)22(29)30-2)20(27)15-9-11-25(12-10-15)21(28)18-8-5-13-31-18/h3-8,13,15H,9-12,14H2,1-2H3,(H,23,26)