O3-[(2-chloranylquinolin-3-yl)methyl] O1,O1-diethyl propane-1,1,3-tricarboxylate

Systemtic Name: O3-[(2-chloranylquinolin-3-yl)methyl] O1,O1-diethyl propane-1,1,3-tricarboxylate Openeye Name: O3-[(2-chloro-3-quinolyl)methyl] O1,O1-diethyl propane-1,1,3-tricarboxylate CAS Name: propane-1,1,3-tricarboxylic acid O3-[(2-chloro-3-quinolinyl)methyl] ester O1,O1-diethyl ester IUPAC Name: 3-O-[(2-chloroquinolin-3-yl)methyl] 1-O,1-O-diethyl propane-1,1,3-tricarboxylate Traditional Name: propane-1,1,3-tricarboxylic acid O3-[(2-chloro-3-quinolyl)methyl] ester O1,O1-diethyl ester Formula: C20H22ClNO6 MolecularWeight: 407.84478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC(=O)OCC1=CC2=CC=CC=C2N=C1Cl)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CCC(=O)OCC1=CC2=CC=CC=C2N=C1Cl)C(=O)OCC

InChI

InChI=1S/C20H22ClNO6/c1-3-26-19(24)15(20(25)27-4-2)9-10-17(23)28-12-14-11-13-7-5-6-8-16(13)22-18(14)21/h5-8,11,15H,3-4,9-10,12H2,1-2H3