[2-[(3R)-3-aminocarbonylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2-(furan-2-yl)quinoline-4-carboxylate

Systemtic Name: [2-[(3R)-3-aminocarbonylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2-(furan-2-yl)quinoline-4-carboxylate Openeye Name: [2-[(3R)-3-carbamoyl-1-piperidyl]-2-oxo-ethyl] 2-(2-furyl)quinoline-4-carboxylate CAS Name: 2-(2-furanyl)-4-quinolinecarboxylic acid [2-[(3R)-3-carbamoyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3R)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate Traditional Name: 2-(2-furyl)cinchoninic acid [2-[(3R)-3-carbamoylpiperidino]-2-keto-ethyl] ester Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CO4)C(=O)N

Isomeric SMILES

C1C[C@H](CN(C1)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CO4)C(=O)N

InChI

InChI=1S/C22H21N3O5/c23-21(27)14-5-3-9-25(12-14)20(26)13-30-22(28)16-11-18(19-8-4-10-29-19)24-17-7-2-1-6-15(16)17/h1-2,4,6-8,10-11,14H,3,5,9,12-13H2,(H2,23,27)/t14-/m1/s1