[2-(azetidin-1-yl)-2-oxidanylidene-ethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate

Systemtic Name: [2-(azetidin-1-yl)-2-oxidanylidene-ethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate Openeye Name: [2-(azetidin-1-yl)-2-oxo-ethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate CAS Name: 2-(4-chlorophenyl)-4-quinolinecarboxylic acid [2-(1-azetidinyl)-2-oxoethyl] ester IUPAC Name: [2-(azetidin-1-yl)-2-oxoethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-chlorophenyl)cinchoninic acid [2-(azetidin-1-yl)-2-keto-ethyl] ester Formula: C21H17ClN2O3 MolecularWeight: 380.82428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C1)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(C1)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H17ClN2O3/c22-15-8-6-14(7-9-15)19-12-17(16-4-1-2-5-18(16)23-19)21(26)27-13-20(25)24-10-3-11-24/h1-2,4-9,12H,3,10-11,13H2