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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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