[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxidanylidene-ethyl] 2-chloranylquinoline-4-carboxylate

Systemtic Name: [2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxidanylidene-ethyl] 2-chloranylquinoline-4-carboxylate Openeye Name: [2-[[(1R)-1-(benzofuran-2-yl)ethyl]amino]-2-oxo-ethyl] 2-chloroquinoline-4-carboxylate CAS Name: 2-chloro-4-quinolinecarboxylic acid [2-[[(1R)-1-(2-benzofuranyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 2-chloroquinoline-4-carboxylate Traditional Name: 2-chlorocinchoninic acid [2-[[(1R)-1-(benzofuran-2-yl)ethyl]amino]-2-keto-ethyl] ester Formula: C22H17ClN2O4 MolecularWeight: 408.83438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=CC=CC=C2O1)NC(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)Cl

Isomeric SMILES

C[C@H](C1=CC2=CC=CC=C2O1)NC(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)Cl

InChI

InChI=1S/C22H17ClN2O4/c1-13(19-10-14-6-2-5-9-18(14)29-19)24-21(26)12-28-22(27)16-11-20(23)25-17-8-4-3-7-15(16)17/h2-11,13H,12H2,1H3,(H,24,26)/t13-/m1/s1