(1-azanyl-1-oxidanylidene-propan-2-yl) 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: (1-azanyl-1-oxidanylidene-propan-2-yl) 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate Openeye Name: (2-amino-1-methyl-2-oxo-ethyl) 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(3,4,5-trimethoxyphenyl)-4-quinolinecarboxylic acid (1-amino-1-oxopropan-2-yl) ester IUPAC Name: (1-amino-1-oxopropan-2-yl) 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(3,4,5-trimethoxyphenyl)cinchoninic acid (2-amino-2-keto-1-methyl-ethyl) ester Formula: C22H22N2O6 MolecularWeight: 410.41988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)OC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CC(C(=O)N)OC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C22H22N2O6/c1-12(21(23)25)30-22(26)15-11-17(24-16-8-6-5-7-14(15)16)13-9-18(27-2)20(29-4)19(10-13)28-3/h5-12H,1-4H3,(H2,23,25)