dimethyl 2-[[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]carbonylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]carbonylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[[2-(1,3-benzodioxol-5-yl)-4-quinolinyl]-oxomethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C27H20N2O7 MolecularWeight: 484.4569

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H20N2O7/c1-33-26(31)16-7-9-18(27(32)34-2)22(11-16)29-25(30)19-13-21(28-20-6-4-3-5-17(19)20)15-8-10-23-24(12-15)36-14-35-23/h3-13H,14H2,1-2H3,(H,29,30)